3-(4H-1,2,4-triazol-4-yl)benzoic acid
Chemical Structure Depiction of
3-(4H-1,2,4-triazol-4-yl)benzoic acid
3-(4H-1,2,4-triazol-4-yl)benzoic acid
Compound characteristics
| Compound ID: | 8019-4638 |
| Compound Name: | 3-(4H-1,2,4-triazol-4-yl)benzoic acid |
| Molecular Weight: | 189.17 |
| Molecular Formula: | C9 H7 N3 O2 |
| Smiles: | c1cc(cc(c1)n1cnnc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0849 |
| logD: | -3.5471 |
| logSw: | -1.6634 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.678 |
| InChI Key: | CFDCJKUCKNZXBW-UHFFFAOYSA-N |