3,6-diamino-2,5-dinitropentalene-3a,6a(1H,4H)-dicarbonitrile
Chemical Structure Depiction of
3,6-diamino-2,5-dinitropentalene-3a,6a(1H,4H)-dicarbonitrile
3,6-diamino-2,5-dinitropentalene-3a,6a(1H,4H)-dicarbonitrile
Compound characteristics
| Compound ID: | 8011-7302 |
| Compound Name: | 3,6-diamino-2,5-dinitropentalene-3a,6a(1H,4H)-dicarbonitrile |
| Molecular Weight: | 276.21 |
| Molecular Formula: | C10 H8 N6 O4 |
| Smiles: | C1C(=C(C2(CC(=C(C12C#N)N)[N+]([O-])=O)C#N)N)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -1.0069 |
| logD: | -1.007 |
| logSw: | -0.2448 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 145.078 |
| InChI Key: | KOKNDQFAJTYOKR-UHFFFAOYSA-N |