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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
88530 |
49955172 |
1 |
ClNOC16H19 |
ABCD16E19 |
24.38 |
2.0 |
0.0 |
0.0 |
-1 |
|
|
88531 |
49955173 |
1 |
NCl2O2C22H22 |
AB2C2D22E22 |
15.31 |
1.19 |
0.0 |
0.0 |
-1 |
|
|
88532 |
49955174 |
1 |
NO2Cl3H21C22 |
AB2C3D21E22 |
2.69 |
4.22 |
0.0 |
0.0 |
-1 |
|
|
88533 |
49955176 |
1 |
ClON2C17H22 |
ABC2D17E22 |
-10.03 |
2.16 |
0.0 |
0.0 |
-1 |
|
|
88534 |
49955179 |
1 |
NCl2O2C20H20 |
AB2C2D20E20 |
2.11 |
1.94 |
0.0 |
0.0 |
-1 |
|
|
88535 |
49955217 |
1 |
ClS2N5C16H19 |
AB2C5D16E19 |
153.71 |
7.96 |
0.0 |
0.0 |
-1 |
|
|
88536 |
49955236 |
1 |
NCl2O3C15H18 |
AB2C3D15E18 |
-59.36 |
3.6 |
0.0 |
0.0 |
-1 |
|
|
88537 |
49955244 |
1 |
ClNO3C16H21 |
ABC3D16E21 |
-70.69 |
4.28 |
0.0 |
0.0 |
-1 |
|
|
88538 |
49955247 |
1 |
BrNOC13H19 |
ABCD13E19 |
-26.14 |
3.21 |
0.0 |
0.0 |
-1 |
|
|
88539 |
49955298 |
1 |
ClS2N5C13H19 |
AB2C5D13E19 |
136.96 |
6.75 |
0.0 |
0.0 |
-1 |
|
|
88540 |
49955305 |
1 |
BrClN3O3C17H18 |
ABC3D3E17F18 |
-37.79 |
6.45 |
0.0 |
0.0 |
-1 |
|
|
88541 |
49955367 |
1 |
ClN3O4C17H19 |
AB3C4D17E19 |
-77.29 |
7.82 |
0.0 |
0.0 |
-2 |
|
|
88543 |
49955374 |
1 |
ClON3H17C21 |
ABC3D17E21 |
157.44 |
9.99 |
0.0 |
0.0 |
-1 |
|
|
88544 |
49955376 |
1 |
ClON3C17H19 |
ABC3D17E19 |
40.59 |
3.77 |
0.0 |
0.0 |
-1 |
|
|
88545 |
49955379 |
1 |
ClON4C20H22 |
ABC4D20E22 |
87.0 |
3.94 |
0.0 |
0.0 |
-1 |
|
|
88546 |
49955380 |
1 |
ClSN5C18H21 |
ABC5D18E21 |
156.32 |
5.93 |
0.0 |
0.0 |
-1 |
|
|
88547 |
49955381 |
1 |
OSCl2N5C18H20 |
ABC2D5E18F20 |
111.04 |
8.97 |
0.0 |
0.0 |
-1 |
|
|
88548 |
49955383 |
1 |
BrClSN5C17H18 |
ABCD5E17F18 |
157.82 |
5.74 |
0.0 |
0.0 |
-2 |
|
|
88550 |
49955392 |
1 |
ClON3C16H23 |
ABC3D16E23 |
-2.92 |
4.25 |
0.0 |
0.0 |
-2 |
|
|
88551 |
49955395 |
1 |
OCl2N4C16H26 |
AB2C4D16E26 |
127.25 |
6.1 |
-8.51 |
-7.38 |
-1 |
|
|
88552 |
49955396 |
1 |
BrClOSN5C18H20 |
ABCDE5F18G20 |
122.95 |
9.36 |
0.0 |
0.0 |
-1 |
|
|
88553 |
49955397 |
1 |
ClSO2N5C18H21 |
ABC2D5E18F21 |
98.79 |
6.41 |
0.0 |
0.0 |
-1 |
|
|
88554 |
49955398 |
1 |
ClSO2N5C18H19 |
ABC2D5E18F19 |
102.62 |
5.86 |
0.0 |
0.0 |
-1 |
|
|
88555 |
49955402 |
1 |
OSCl2N5C17H20 |
ABC2D5E17F20 |
101.12 |
5.29 |
0.0 |
0.0 |
-1 |
|
|
88556 |
49955406 |
1 |
Cl2N4O4H19C22 |
A2B4C4D19E22 |
-15.98 |
3.55 |
0.0 |
0.0 |
-1 |
|
|
88557 |
49955418 |
1 |
ClOSN5C13H19 |
ABCD5E13F19 |
93.99 |
8.26 |
0.0 |
0.0 |
-1 |
|
|
88558 |
49955419 |
1 |
FOSCl2N5C16H17 |
ABCD2E5F16G17 |
90.56 |
7.24 |
0.0 |
0.0 |
-1 |
|
|
88559 |
49955420 |
1 |
ClOF3N3H12C15 |
ABC3D3E12F15 |
-120.68 |
6.49 |
0.0 |
0.0 |
-2 |
|
|
88561 |
49955422 |
1 |
NCl2O2C15H18 |
AB2C2D15E18 |
-32.14 |
2.24 |
0.0 |
0.0 |
-2 |
|
|
88563 |
49955425 |
1 |
ClON3C22H31 |
ABC3D22E31 |
-29.86 |
3.87 |
0.0 |
0.0 |
-1 |
|
|
88564 |
49955428 |
1 |
ClO2N3C15H17 |
AB2C3D15E17 |
9.68 |
3.63 |
0.0 |
0.0 |
-1 |
|
|
88565 |
49955430 |
1 |
ClSO2N5C19H23 |
ABC2D5E19F23 |
87.4 |
4.28 |
0.0 |
0.0 |
-1 |
|
|
88566 |
49955431 |
1 |
ClSN5C19H21 |
ABC5D19E21 |
171.85 |
4.75 |
0.0 |
0.0 |
-1 |
|
|
88567 |
49955432 |
1 |
ClS2N5C16H19 |
AB2C5D16E19 |
184.61 |
5.76 |
0.0 |
0.0 |
-1 |
|
|
88568 |
49955433 |
1 |
ClOSN5C14H21 |
ABCD5E14F21 |
79.42 |
7.47 |
0.0 |
0.0 |
-1 |
|
|
88569 |
49955434 |
1 |
ClSO2N5C15H23 |
ABC2D5E15F23 |
41.91 |
3.62 |
0.0 |
0.0 |
-2 |
|
|
88572 |
49955440 |
1 |
NCl2O2H12C14 |
AB2C2D12E14 |
-40.68 |
14.9 |
0.0 |
0.0 |
-1 |
|
|
88573 |
49955453 |
1 |
Cl2O2N3H16C19 |
A2B2C3D16E19 |
15.77 |
4.94 |
0.0 |
0.0 |
-1 |
|
|
88574 |
49955463 |
1 |
Cl2O2N3H14C18 |
A2B2C3D14E18 |
19.08 |
4.37 |
0.0 |
0.0 |
-1 |
|
|
88575 |
49955466 |
1 |
ClSN5C19H23 |
ABC5D19E23 |
149.22 |
5.43 |
0.0 |
0.0 |
-1 |
|
|
88576 |
49955480 |
1 |
ClON3C18H21 |
ABC3D18E21 |
35.66 |
3.69 |
0.0 |
0.0 |
-1 |
|
|
88577 |
49955503 |
1 |
SCl2N5C16H16 |
AB2C5D16E16 |
162.05 |
6.71 |
0.0 |
0.0 |
-1 |
|
|
88578 |
49955507 |
1 |
ClSO3N5C15H23 |
ABC3D5E15F23 |
13.5 |
6.64 |
0.0 |
0.0 |
-1 |
|
|
88579 |
49955509 |
1 |
OSCl2N5C19H22 |
ABC2D5E19F22 |
54.09 |
5.65 |
0.0 |
0.0 |
-1 |
|
|
88580 |
49955513 |
1 |
ClN4O4H20C22 |
AB4C4D20E22 |
-7.14 |
3.69 |
0.0 |
0.0 |
-1 |
|
|
88581 |
49955530 |
1 |
BrClSN3O6H24C26 |
ABCD3E6F24G26 |
-128.38 |
2.15 |
0.0 |
0.0 |
-1 |
|
|
88582 |
49955538 |
1 |
BrSN3O6H25C28 |
ABC3D6E25F28 |
-103.63 |
7.41 |
0.0 |
0.0 |
-1 |
|
|
88583 |
49955559 |
1 |
BrFSO2N3H24C27 |
ABCD2E3F24G27 |
4.3 |
6.56 |
0.0 |
0.0 |
-1 |
|
|
88584 |
49955573 |
1 |
BrSN3O4H25C28 |
ABC3D4E25F28 |
-48.45 |
3.51 |
0.0 |
0.0 |
-1 |
|
|
88585 |
49955584 |
1 |
BrNC10H13 |
ABC10D13 |
5.56 |
2.73 |
0.0 |
0.0 |
-1 |
|
|
88586 |
49955587 |
1 |
ClSN2O2C13H16 |
ABC2D2E13F16 |
-60.8 |
4.72 |
0.0 |
0.0 |
-1 |
|
|
88587 |
49955588 |
1 |
ClOSN2C15H16 |
ABCD2E15F16 |
23.32 |
3.66 |
0.0 |
0.0 |
-1 |
|
|
88588 |
49955623 |
1 |
ClNO4C18H23 |
ABC4D18E23 |
-54.4 |
13.48 |
0.0 |
0.0 |
-1 |
|
|
88589 |
49955627 |
1 |
ClNO3C18H23 |
ABC3D18E23 |
-55.83 |
1.66 |
0.0 |
0.0 |
-2 |
|
|
88590 |
49955630 |
1 |
Cl2N2O3C17H28 |
A2B2C3D17E28 |
-158.1 |
6.25 |
-8.86 |
0.0 |
-2 |
|
|
88591 |
49955631 |
1 |
OCl2N4C17H26 |
AB2C4D17E26 |
-49.68 |
3.3 |
-8.71 |
-1.12 |
-1 |
|
|
88592 |
49955633 |
1 |
NOCl2C8H10 |
ABC2D8E10 |
-24.46 |
3.57 |
0.0 |
0.0 |
-1 |
|
|
88593 |
49955637 |
1 |
ClN2O2C15H22 |
AB2C2D15E22 |
-41.24 |
5.5 |
0.0 |
0.0 |
-1 |
|
|
88594 |
49955638 |
1 |
ClO2N4C17H24 |
AB2C4D17E24 |
-37.68 |
6.3 |
0.0 |
0.0 |
-1 |
|
|
88595 |
49955640 |
1 |
ClNO2C13H21 |
ABC2D13E21 |
-50.92 |
2.34 |
0.0 |
0.0 |
-1 |
|
|
88596 |
49955645 |
1 |
ClO2N3C18H21 |
AB2C3D18E21 |
2.59 |
3.5 |
0.0 |
0.0 |
-1 |
|
|
88597 |
49955650 |
1 |
ClNSO2C14H17 |
ABCD2E14F17 |
-4.99 |
1.3 |
0.0 |
0.0 |
-1 |
|
|
88598 |
49955651 |
1 |
ClNO2C12H19 |
ABC2D12E19 |
-46.33 |
2.74 |
0.0 |
0.0 |
-2 |
|
|
88599 |
49955652 |
1 |
OCl2N6C18H22 |
AB2C6D18E22 |
107.33 |
7.16 |
-8.94 |
-2.19 |
-1 |
|
|
88600 |
49955656 |
1 |
ClNO3C18H21 |
ABC3D18E21 |
-59.81 |
4.5 |
0.0 |
0.0 |
-1 |
|
|
88601 |
49955657 |
1 |
ClNO3C17H19 |
ABC3D17E19 |
-24.43 |
5.45 |
0.0 |
0.0 |
-1 |
|
|
88602 |
49955666 |
1 |
ClNO3C17H21 |
ABC3D17E21 |
-79.14 |
3.05 |
0.0 |
0.0 |
-1 |
|
|
88603 |
49955667 |
1 |
ClNO3H19C20 |
ABC3D19E20 |
11.35 |
5.74 |
0.0 |
0.0 |
-1 |
|
|
88604 |
49955668 |
1 |
ClNSO3H15C17 |
ABCD3E15F17 |
-8.48 |
6.18 |
0.0 |
0.0 |
-1 |
|
|
88605 |
49955670 |
1 |
ClN2O2C19H22 |
AB2C2D19E22 |
2.56 |
0.96 |
0.0 |
0.0 |
-1 |
|
|
88606 |
49955682 |
1 |
ClNO3C12H19 |
ABC3D12E19 |
-121.5 |
3.57 |
0.0 |
0.0 |
-2 |
|
|
88608 |
49955707 |
1 |
ClON3C17H21 |
ABC3D17E21 |
46.38 |
2.2 |
0.0 |
0.0 |
-1 |
|
|
88609 |
49955718 |
1 |
NCl2O3C14H22 |
AB2C3D14E22 |
-92.1 |
3.96 |
0.0 |
0.0 |
-1 |
|
|
88610 |
49955721 |
1 |
ClN3O3C21H23 |
AB3C3D21E23 |
-15.27 |
2.9 |
0.0 |
0.0 |
-1 |
|
|
88611 |
49955723 |
1 |
ClNO3C12H19 |
ABC3D12E19 |
-105.42 |
5.88 |
0.0 |
0.0 |
-1 |
|
|
88612 |
49955726 |
1 |
NCl2O3C17H20 |
AB2C3D17E20 |
-83.53 |
5.65 |
0.0 |
0.0 |
-1 |
|
|
88613 |
49955727 |
1 |
ClNO3C18H23 |
ABC3D18E23 |
-50.35 |
1.31 |
0.0 |
0.0 |
-1 |
|
|
88614 |
49955736 |
1 |
ClO2N3C14H17 |
AB2C3D14E17 |
25.41 |
2.59 |
0.0 |
0.0 |
-1 |
|
|
88615 |
49955740 |
1 |
Cl2N2O2C15H15 |
A2B2C2D15E15 |
-71.49 |
2.74 |
0.0 |
0.0 |
-1 |
|
|
88616 |
49955744 |
1 |
ClNO2C17H23 |
ABC2D17E23 |
-34.71 |
3.52 |
0.0 |
0.0 |
-1 |
|
|
88617 |
49955746 |
1 |
ClNSO3C15H19 |
ABCD3E15F19 |
-39.97 |
1.34 |
0.0 |
0.0 |
-1 |
|
|
88618 |
49955748 |
1 |
ClFNO3C17H20 |
ABCD3E17F20 |
-91.34 |
2.78 |
0.0 |
0.0 |
-1 |
|
|
88619 |
49955754 |
1 |
ClNO2C12H15 |
ABC2D12E15 |
-13.19 |
4.62 |
0.0 |
0.0 |
-1 |
|
|
88620 |
49955755 |
1 |
BrN2C8H14 |
AB2C8D14 |
10.1 |
4.89 |
0.0 |
0.0 |
-1 |
|
|
88621 |
49955756 |
1 |
ClSN2O4C14H16 |
ABC2D4E14F16 |
-95.63 |
4.55 |
0.0 |
0.0 |
-1 |
|
|
88622 |
49955758 |
1 |
ClNO3C9H11 |
ABC3D9E11 |
-101.61 |
3.05 |
0.0 |
0.0 |
-1 |
|
|
88623 |
49955759 |
1 |
ClN2O4C17H18 |
AB2C4D17E18 |
-8.2 |
8.17 |
0.0 |
0.0 |
-1 |
|
|
88624 |
49955761 |
1 |
BrClNC12H16 |
ABCD12E16 |
7.6 |
2.21 |
0.0 |
0.0 |
-1 |
|
|
88625 |
49955766 |
1 |
ClN3C14H17 |
AB3C14D17 |
59.75 |
4.21 |
0.0 |
0.0 |
-1 |
|
|
88626 |
49955769 |
1 |
BrNOC10H13 |
ABCD10E13 |
1.9 |
1.38 |
0.0 |
0.0 |
-1 |
|
|
88627 |
49955775 |
1 |
ClNOSC17H23 |
ABCDE17F23 |
-8.35 |
1.73 |
0.0 |
0.0 |
-1 |
|
|
88628 |
49955776 |
1 |
ClNO2C11H17 |
ABC2D11E17 |
-63.11 |
5.14 |
0.0 |
0.0 |
-1 |
|
|
88629 |
49955777 |
1 |
ClNF3O3H10C14 |
ABC3D3E10F14 |
-183.58 |
3.51 |
0.0 |
0.0 |
-1 |
|
|
88630 |
49955815 |
1 |
ClNO3C17H21 |
ABC3D17E21 |
-35.78 |
2.29 |
0.0 |
0.0 |
-1 |
|
|
88631 |
49955816 |
1 |
ClON5C19H23 |
ABC5D19E23 |
112.32 |
6.98 |
0.0 |
0.0 |
-1 |
|
|
88632 |
49955817 |
1 |
ClON5C19H23 |
ABC5D19E23 |
110.7 |
6.66 |
0.0 |
0.0 |
-1 |
|
|
88633 |
49955818 |
1 |
ClO2N5C21H27 |
AB2C5D21E27 |
66.72 |
6.0 |
0.0 |
0.0 |
-1 |
|
|
88634 |
49955823 |
1 |
ClO2N5C16H17 |
AB2C5D16E17 |
85.79 |
7.79 |
0.0 |
0.0 |
-1 |
|
|
88635 |
49955828 |
1 |
ClON5H21C22 |
ABC5D21E22 |
155.57 |
6.54 |
0.0 |
0.0 |
-1 |
|
|
88636 |
49955829 |
1 |
ClON6H18C20 |
ABC6D18E20 |
171.1 |
5.83 |
0.0 |
0.0 |
-1 |