3-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]benzoic acid
Chemical Structure Depiction of
3-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]benzoic acid
3-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]benzoic acid
Compound characteristics
| Compound ID: | 6228-1533 |
| Compound Name: | 3-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]benzoic acid |
| Molecular Weight: | 248.19 |
| Molecular Formula: | C10 H8 N4 O4 |
| Smiles: | C(c1cccc(c1)C(O)=O)n1cnc(n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.3913 |
| logD: | -1.97 |
| logSw: | -1.828 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.043 |
| InChI Key: | PBPBRUBGUQMZBF-UHFFFAOYSA-N |