3-(3-nitro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxylic acid
Chemical Structure Depiction of
3-(3-nitro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxylic acid
3-(3-nitro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxylic acid
Compound characteristics
| Compound ID: | 6049-2803 |
| Compound Name: | 3-(3-nitro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxylic acid |
| Molecular Weight: | 292.29 |
| Molecular Formula: | C13 H16 N4 O4 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)n1cnc(n1)[N+]([O-])=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.8651 |
| logD: | -0.3193 |
| logSw: | -1.7494 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.586 |
| InChI Key: | CIKGWLMBQJIERA-UHFFFAOYSA-N |