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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
285800 |
104133541 |
1 |
ClON3C14H14 |
ABC3D14E14 |
5.42 |
2.12 |
-10.05 |
-0.87 |
0 |
|
|
285801 |
104133542 |
1 |
ClON3C15H16 |
ABC3D15E16 |
1.17 |
2.61 |
-10.04 |
-0.91 |
0 |
|
|
285802 |
104133770 |
1 |
ClN2O2C15H21 |
AB2C2D15E21 |
-91.66 |
5.73 |
-9.77 |
-0.59 |
0 |
|
|
285803 |
104133802 |
1 |
OSN2C12H26 |
ABC2D12E26 |
-79.52 |
7.57 |
-8.24 |
0.67 |
0 |
|
|
285804 |
104133838 |
1 |
ClO2N3C12H16 |
AB2C3D12E16 |
-78.19 |
6.04 |
-9.88 |
-0.91 |
0 |
|
|
285805 |
104133839 |
1 |
ClO2N3C13H18 |
AB2C3D13E18 |
-84.73 |
5.59 |
-9.91 |
-0.71 |
0 |
|
|
285806 |
104133883 |
1 |
ClN2O2C15H21 |
AB2C2D15E21 |
-91.08 |
5.79 |
-9.71 |
-0.66 |
0 |
|
|
285807 |
104133884 |
1 |
ClN2O2C16H23 |
AB2C2D16E23 |
-97.03 |
4.81 |
-9.7 |
-0.61 |
0 |
|
|
285808 |
104133891 |
1 |
ClN2O2C15H21 |
AB2C2D15E21 |
-89.62 |
3.31 |
-9.51 |
-0.73 |
0 |
|
|
285809 |
104133892 |
1 |
ClN2O2C15H21 |
AB2C2D15E21 |
-89.13 |
3.25 |
-9.51 |
-0.72 |
0 |
|
|
285810 |
104133895 |
1 |
ClN2O2C15H21 |
AB2C2D15E21 |
-92.3 |
3.53 |
-9.96 |
-0.73 |
0 |
|
|
285811 |
104133899 |
1 |
ClN2O2C16H23 |
AB2C2D16E23 |
-88.83 |
3.62 |
-9.74 |
-0.62 |
0 |
|
|
285812 |
104133900 |
1 |
ClN2O2C15H21 |
AB2C2D15E21 |
-84.57 |
3.47 |
-9.58 |
-0.75 |
0 |
|
|
285813 |
104133901 |
1 |
ClN2O2C15H21 |
AB2C2D15E21 |
-84.24 |
3.86 |
-9.6 |
-0.73 |
0 |
|
|
285814 |
104133902 |
1 |
ClN2O2C16H23 |
AB2C2D16E23 |
-90.38 |
4.25 |
-9.59 |
-0.72 |
0 |
|
|
285815 |
104133904 |
1 |
ClON2C17H25 |
ABC2D17E25 |
-55.92 |
5.35 |
-9.58 |
-0.59 |
0 |
|
|
285816 |
104133906 |
1 |
ClSN2O3C13H17 |
ABC2D3E13F17 |
-121.32 |
2.27 |
-10.17 |
-1.03 |
0 |
|
|
285817 |
104133911 |
1 |
ClON4C14H15 |
ABC4D14E15 |
18.47 |
3.21 |
-9.78 |
-0.96 |
0 |
|
|
285818 |
104133913 |
1 |
ClON2C17H23 |
ABC2D17E23 |
-54.9 |
4.93 |
-9.58 |
-0.6 |
0 |
|
|
285819 |
104133914 |
1 |
ClON2C17H23 |
ABC2D17E23 |
-53.63 |
5.22 |
-9.54 |
-0.57 |
0 |
|
|
285820 |
104133915 |
1 |
ClSN2O3C13H17 |
ABC2D3E13F17 |
-114.72 |
5.17 |
-10.17 |
-0.96 |
0 |
|
|
285821 |
104133916 |
1 |
ClSN2O3C14H19 |
ABC2D3E14F19 |
-121.96 |
0.99 |
-10.06 |
-0.81 |
0 |
|
|
285822 |
104133918 |
1 |
BrClON2H14C15 |
ABCD2E14F15 |
-4.69 |
3.76 |
-9.41 |
-1.17 |
0 |
|
|
285823 |
104133919 |
1 |
BrClON2C16H16 |
ABCD2E16F16 |
-12.09 |
5.09 |
-9.16 |
-0.95 |
0 |
|
|
285824 |
104133921 |
1 |
BrClOSN3H11C12 |
ABCDE3F11G12 |
24.33 |
4.37 |
-9.47 |
-1.22 |
0 |
|
|
285825 |
104133922 |
1 |
BrClOSN3C13H13 |
ABCDE3F13G13 |
18.08 |
4.58 |
-9.48 |
-1.17 |
0 |
|
|
285826 |
104133925 |
1 |
ClON4C14H17 |
ABC4D14E17 |
13.36 |
5.91 |
-9.07 |
-0.69 |
0 |
|
|
285827 |
104133928 |
1 |
ClN2O3C14H19 |
AB2C3D14E19 |
-132.27 |
3.55 |
-9.93 |
-0.77 |
0 |
|
|
285828 |
104133930 |
1 |
ClON3C16H24 |
ABC3D16E24 |
-45.15 |
4.85 |
-8.93 |
-0.83 |
0 |
|
|
285829 |
104133932 |
1 |
ClON3C14H20 |
ABC3D14E20 |
-34.84 |
4.61 |
-8.99 |
-0.83 |
0 |
|
|
285830 |
104133937 |
1 |
ClO2N3C13H18 |
AB2C3D13E18 |
-89.97 |
6.64 |
-9.84 |
-0.66 |
0 |
|
|
285831 |
104133941 |
1 |
ClON2F3C13H16 |
ABC2D3E13F16 |
-200.87 |
3.59 |
-10.05 |
-0.83 |
0 |
|
|
285832 |
104133944 |
1 |
ClON3C16H18 |
ABC3D16E18 |
-4.89 |
4.21 |
-9.88 |
-0.67 |
0 |
|
|
285833 |
104133952 |
1 |
ClON2C17H19 |
ABC2D17E19 |
-19.17 |
5.6 |
-9.4 |
-0.8 |
0 |
|
|
285834 |
104133957 |
1 |
ClON2C16H23 |
ABC2D16E23 |
-56.78 |
5.02 |
-9.93 |
-0.72 |
0 |
|
|
285835 |
104133959 |
1 |
ClON2C16H23 |
ABC2D16E23 |
-57.69 |
5.56 |
-9.92 |
-0.75 |
0 |
|
|
285836 |
104133961 |
1 |
ClON2C17H25 |
ABC2D17E25 |
-62.47 |
5.35 |
-9.93 |
-0.75 |
0 |
|
|
285837 |
104133962 |
1 |
ClSN2O3C12H17 |
ABC2D3E12F17 |
-116.9 |
5.54 |
-10.03 |
-1.06 |
0 |
|
|
285838 |
104133965 |
1 |
ClN2O2C11H15 |
AB2C2D11E15 |
-70.3 |
5.01 |
-9.82 |
-1.02 |
0 |
|
|
285839 |
104133966 |
1 |
ClN2O2C12H17 |
AB2C2D12E17 |
-71.74 |
4.73 |
-9.8 |
-0.98 |
0 |
|
|
285840 |
104133967 |
1 |
ClN2O2C12H17 |
AB2C2D12E17 |
-75.02 |
4.69 |
-9.8 |
-0.98 |
0 |
|
|
285841 |
104133968 |
1 |
ClN2O2C12H17 |
AB2C2D12E17 |
-82.96 |
3.76 |
-9.91 |
-0.76 |
0 |
|
|
285842 |
104133969 |
1 |
ClN2O2C13H19 |
AB2C2D13E19 |
-88.44 |
3.21 |
-9.85 |
-0.74 |
0 |
|
|
285843 |
104133970 |
1 |
ClN2O2C14H21 |
AB2C2D14E21 |
-90.01 |
5.07 |
-9.73 |
-0.7 |
0 |
|
|
285844 |
104133971 |
1 |
ClON2C13H17 |
ABC2D13E17 |
-40.14 |
5.66 |
-9.61 |
-0.61 |
0 |
|
|
285845 |
104133973 |
1 |
ClON2C15H21 |
ABC2D15E21 |
-52.01 |
4.85 |
-9.6 |
-0.52 |
0 |
|
|
285846 |
104133974 |
1 |
ClON2C14H19 |
ABC2D14E19 |
-44.65 |
4.92 |
-9.62 |
-0.6 |
0 |
|
|
285847 |
104133977 |
1 |
ClON2C13H17 |
ABC2D13E17 |
-15.02 |
5.01 |
-9.69 |
-0.63 |
0 |
|
|
285848 |
104133980 |
1 |
ClON2C15H21 |
ABC2D15E21 |
-25.67 |
4.69 |
-9.67 |
-0.56 |
0 |
|
|
285849 |
104133987 |
1 |
ClON2C17H19 |
ABC2D17E19 |
-21.65 |
5.55 |
-9.45 |
-0.7 |
0 |
|
|
285850 |
104133997 |
1 |
ClO2N3C14H20 |
AB2C3D14E20 |
-83.13 |
2.23 |
-9.77 |
-0.99 |
0 |
|
|
285851 |
104134003 |
1 |
ClSN2O3C14H19 |
ABC2D3E14F19 |
-122.32 |
6.46 |
-10.16 |
-0.91 |
0 |
|
|
285852 |
104134007 |
1 |
ClO2N3C14H20 |
AB2C3D14E20 |
-93.05 |
3.62 |
-9.95 |
-0.86 |
0 |
|
|
285853 |
104134011 |
1 |
ClO2N3C15H20 |
AB2C3D15E20 |
-85.42 |
1.71 |
-9.94 |
-0.86 |
0 |
|
|
285854 |
104134014 |
1 |
ClOSN2C16H19 |
ABCD2E16F19 |
-12.57 |
5.93 |
-9.22 |
-0.55 |
0 |
|
|
285855 |
104134018 |
1 |
ClON2C17H25 |
ABC2D17E25 |
-57.9 |
5.21 |
-9.51 |
-0.55 |
0 |
|
|
285856 |
104134019 |
1 |
ClOSN2C15H17 |
ABCD2E15F17 |
-4.31 |
4.02 |
-9.24 |
-0.66 |
0 |
|
|
285857 |
104134025 |
1 |
ClO2N3C15H22 |
AB2C3D15E22 |
-90.33 |
6.31 |
-9.75 |
-0.55 |
0 |
|
|
285858 |
104134026 |
1 |
ClO2N3C14H20 |
AB2C3D14E20 |
-84.5 |
2.53 |
-9.77 |
-0.88 |
0 |
|
|
285859 |
104134027 |
1 |
ClO2N3C15H22 |
AB2C3D15E22 |
-89.97 |
1.6 |
-9.76 |
-0.82 |
0 |
|
|
285860 |
104134028 |
1 |
ClO2N3C15H22 |
AB2C3D15E22 |
-89.99 |
2.02 |
-9.78 |
-0.89 |
0 |
|
|
285861 |
104134056 |
1 |
OCl2N3H13C14 |
AB2C3D13E14 |
-1.43 |
1.72 |
-9.48 |
-1.05 |
0 |
|
|
285862 |
104134057 |
1 |
OCl2N3C15H15 |
AB2C3D15E15 |
-7.38 |
2.23 |
-9.47 |
-1.02 |
0 |
|
|
285863 |
104134074 |
1 |
OCl2N2C16H16 |
AB2C2D16E16 |
-20.78 |
4.89 |
-9.85 |
-0.78 |
0 |
|
|
285864 |
104134084 |
1 |
OCl2N2H14C15 |
AB2C2D14E15 |
-15.0 |
2.78 |
-9.72 |
-0.87 |
0 |
|
|
285865 |
104134088 |
1 |
ClON2C17H19 |
ABC2D17E19 |
-14.8 |
5.27 |
-9.56 |
-0.79 |
0 |
|
|
285866 |
104134089 |
1 |
ClON2C15H23 |
ABC2D15E23 |
-61.3 |
3.95 |
-9.94 |
-0.74 |
0 |
|
|
285867 |
104134091 |
1 |
OCl2N2C16H16 |
AB2C2D16E16 |
-21.16 |
4.29 |
-9.8 |
-0.75 |
0 |
|
|
285868 |
104134093 |
1 |
ClN2O3C15H23 |
AB2C3D15E23 |
-115.97 |
4.8 |
-9.61 |
-0.79 |
0 |
|
|
285869 |
104134097 |
1 |
ClON2C17H23 |
ABC2D17E23 |
-36.47 |
5.22 |
-9.41 |
-0.79 |
0 |
|
|
285870 |
104134098 |
1 |
BrClON2C16H16 |
ABCD2E16F16 |
-1.99 |
4.26 |
-9.67 |
-0.75 |
0 |
|
|
285871 |
104134121 |
1 |
ClN2O2C13H19 |
AB2C2D13E19 |
-93.6 |
4.47 |
-9.9 |
-0.72 |
0 |
|
|
285872 |
104134123 |
1 |
ClN2O2C12H17 |
AB2C2D12E17 |
-90.87 |
4.89 |
-10.01 |
-1.06 |
0 |
|
|
285873 |
104134126 |
1 |
ClN2O2C11H15 |
AB2C2D11E15 |
-86.82 |
5.27 |
-9.91 |
-0.74 |
0 |
|
|
285874 |
104134178 |
1 |
ClO2N3C14H18 |
AB2C3D14E18 |
-55.2 |
1.37 |
-9.74 |
-0.88 |
0 |
|
|
285875 |
104134259 |
1 |
ClN2O3C15H21 |
AB2C3D15E21 |
-136.77 |
3.77 |
-10.01 |
-0.82 |
0 |
|
|
285876 |
104134295 |
1 |
ClON2C12H13 |
ABC2D12E13 |
-24.1 |
6.25 |
-9.2 |
-0.84 |
0 |
|
|
285877 |
104134480 |
1 |
ClON2C16H25 |
ABC2D16E25 |
-62.97 |
4.77 |
-9.59 |
-0.57 |
0 |
|
|
285878 |
104134637 |
1 |
ClN2O2C16H23 |
AB2C2D16E23 |
-89.89 |
5.81 |
-9.62 |
-0.59 |
0 |
|
|
285879 |
104134682 |
1 |
ClN2O2C11H13 |
AB2C2D11E13 |
-76.38 |
6.24 |
-10.14 |
-0.95 |
0 |
|
|
285880 |
104134720 |
1 |
ClN2O2C16H25 |
AB2C2D16E25 |
-110.73 |
3.14 |
-9.89 |
-0.76 |
0 |
|
|
285881 |
104134833 |
1 |
ClN2O2C13H17 |
AB2C2D13E17 |
-80.22 |
4.59 |
-9.86 |
-0.78 |
0 |
|
|
285882 |
104134855 |
1 |
ClN2O2C16H23 |
AB2C2D16E23 |
-90.48 |
3.2 |
-9.49 |
-0.69 |
0 |
|
|
285883 |
104135154 |
1 |
ClON2C17H19 |
ABC2D17E19 |
-15.51 |
4.46 |
-9.0 |
-0.65 |
0 |
|
|
285884 |
104135294 |
1 |
BrO2N3C15H16 |
AB2C3D15E16 |
-38.86 |
3.41 |
-8.66 |
-0.41 |
0 |
|
|
285885 |
104135562 |
1 |
ClON3C15H22 |
ABC3D15E22 |
-36.05 |
4.81 |
-8.82 |
-0.66 |
0 |
|
|
285886 |
104135580 |
1 |
ClON3C15H16 |
ABC3D15E16 |
-3.08 |
3.84 |
-9.76 |
-0.99 |
0 |
|
|
285887 |
104135589 |
1 |
ClN2O2C16H25 |
AB2C2D16E25 |
-94.19 |
5.8 |
-9.61 |
-0.57 |
0 |
|
|
285888 |
104136013 |
1 |
ClFON2H14C15 |
ABCD2E14F15 |
-60.88 |
6.04 |
-9.34 |
-1.05 |
0 |
|
|
285889 |
104136057 |
1 |
ClN2O2C13H19 |
AB2C2D13E19 |
-93.91 |
4.16 |
-9.56 |
-0.6 |
0 |
|
|
285890 |
104136059 |
1 |
ClN2O2C14H21 |
AB2C2D14E21 |
-97.41 |
2.84 |
-9.62 |
-0.69 |
0 |
|
|
285891 |
104136063 |
1 |
ClN2O2C15H23 |
AB2C2D15E23 |
-102.92 |
3.22 |
-9.64 |
-0.72 |
0 |
|
|
285892 |
104136408 |
1 |
ClN3O3C14H18 |
AB3C3D14E18 |
-107.19 |
3.63 |
-9.84 |
-1.01 |
0 |
|
|
285893 |
104136574 |
1 |
O2N3C14H15 |
A2B3C14D15 |
-30.14 |
6.11 |
-9.11 |
-0.95 |
0 |
|
|
285894 |
104136692 |
1 |
SN2O4C12H16 |
AB2C4D12E16 |
-153.88 |
6.08 |
-9.47 |
-0.89 |
0 |
|
|
285895 |
104136693 |
1 |
SN2O4C13H18 |
AB2C4D13E18 |
-158.38 |
5.44 |
-9.48 |
-0.9 |
0 |
|
|
285896 |
104136697 |
1 |
N2O2C15H24 |
A2B2C15D24 |
-92.86 |
5.06 |
-8.72 |
-0.4 |
0 |
|
|
285897 |
104136702 |
3 |
NOC5H7 |
ABC5D7 |
-120.58 |
8.1 |
-8.54 |
-0.38 |
0 |
|
|
285898 |
104136703 |
1 |
N2O2C17H18 |
A2B2C17D18 |
-40.95 |
4.59 |
-8.76 |
-0.5 |
0 |
|
|
285899 |
104136705 |
1 |
N3O3C14H15 |
A3B3C14D15 |
-67.79 |
3.63 |
-8.7 |
-0.82 |
0 |