4-(4H-1,2,4-triazol-4-yl)benzoic acid
Chemical Structure Depiction of
4-(4H-1,2,4-triazol-4-yl)benzoic acid
4-(4H-1,2,4-triazol-4-yl)benzoic acid
Compound characteristics
| Compound ID: | 8018-1696 |
| Compound Name: | 4-(4H-1,2,4-triazol-4-yl)benzoic acid |
| Molecular Weight: | 189.17 |
| Molecular Formula: | C9 H7 N3 O2 |
| Smiles: | c1cc(ccc1C(O)=O)n1cnnc1 |
| Stereo: | ACHIRAL |
| logP: | 1.0833 |
| logD: | -1.8029 |
| logSw: | -1.6751 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.678 |
| InChI Key: | QCNDLFQKKMPZKH-UHFFFAOYSA-N |