3-amino-2-(4-nitrophenyl)-1,2,6,7,8,8a-hexahydronaphthalene-1,2,4-tricarbonitrile
Chemical Structure Depiction of
3-amino-2-(4-nitrophenyl)-1,2,6,7,8,8a-hexahydronaphthalene-1,2,4-tricarbonitrile
3-amino-2-(4-nitrophenyl)-1,2,6,7,8,8a-hexahydronaphthalene-1,2,4-tricarbonitrile
Compound characteristics
| Compound ID: | Y508-0840 |
| Compound Name: | 3-amino-2-(4-nitrophenyl)-1,2,6,7,8,8a-hexahydronaphthalene-1,2,4-tricarbonitrile |
| Molecular Weight: | 345.36 |
| Molecular Formula: | C19 H15 N5 O2 |
| Smiles: | C1CC=C2C(C1)C(C#N)C(C#N)(C(=C2C#N)N)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7281 |
| logD: | 2.7278 |
| logSw: | -3.2526 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.737 |
| InChI Key: | FZNFUVUESUJZPJ-UHFFFAOYSA-N |