5-(4H-1,2,4-triazol-4-yl)benzene-1,3-dicarboxylic acid
Chemical Structure Depiction of
5-(4H-1,2,4-triazol-4-yl)benzene-1,3-dicarboxylic acid
5-(4H-1,2,4-triazol-4-yl)benzene-1,3-dicarboxylic acid
Compound characteristics
| Compound ID: | 8020-2741 |
| Compound Name: | 5-(4H-1,2,4-triazol-4-yl)benzene-1,3-dicarboxylic acid |
| Molecular Weight: | 233.18 |
| Molecular Formula: | C10 H7 N3 O4 |
| Smiles: | c1c(cc(cc1C(O)=O)n1cnnc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9776 |
| logD: | -4.1323 |
| logSw: | -1.1424 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.087 |
| InChI Key: | QHRPTUNIOLMYNP-UHFFFAOYSA-N |