2-(1-amino-2,2-dicyanoethenyl)-3-(3-nitrophenyl)cyclopropane-1,1,2-tricarbonitrile
Chemical Structure Depiction of
2-(1-amino-2,2-dicyanoethenyl)-3-(3-nitrophenyl)cyclopropane-1,1,2-tricarbonitrile
2-(1-amino-2,2-dicyanoethenyl)-3-(3-nitrophenyl)cyclopropane-1,1,2-tricarbonitrile
Compound characteristics
| Compound ID: | 8018-7733 |
| Compound Name: | 2-(1-amino-2,2-dicyanoethenyl)-3-(3-nitrophenyl)cyclopropane-1,1,2-tricarbonitrile |
| Molecular Weight: | 329.27 |
| Molecular Formula: | C16 H7 N7 O2 |
| Smiles: | C(C(C#N)=C(C1(C#N)C(c2cccc(c2)[N+]([O-])=O)C1(C#N)C#N)N)#N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.3632 |
| logD: | 1.3538 |
| logSw: | -1.9078 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 140.294 |
| InChI Key: | NCZQCUSCNABXGS-UHFFFAOYSA-N |