2-amino-4-(4H-1,2,4-triazol-4-yl)benzoic acid
Chemical Structure Depiction of
2-amino-4-(4H-1,2,4-triazol-4-yl)benzoic acid
2-amino-4-(4H-1,2,4-triazol-4-yl)benzoic acid
Compound characteristics
| Compound ID: | 8020-0081 |
| Compound Name: | 2-amino-4-(4H-1,2,4-triazol-4-yl)benzoic acid |
| Molecular Weight: | 204.18 |
| Molecular Formula: | C9 H8 N4 O2 |
| Smiles: | c1cc(C(O)=O)c(cc1n1cnnc1)N |
| Stereo: | ACHIRAL |
| logP: | 0.4602 |
| logD: | -2.7744 |
| logSw: | -1.9957 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.774 |
| InChI Key: | NEDSNKGNAVUYFJ-UHFFFAOYSA-N |