3-[4-(4H-1,2,4-triazol-4-yl)phenyl]propanoic acid
Chemical Structure Depiction of
3-[4-(4H-1,2,4-triazol-4-yl)phenyl]propanoic acid
3-[4-(4H-1,2,4-triazol-4-yl)phenyl]propanoic acid
Compound characteristics
| Compound ID: | 8019-6403 |
| Compound Name: | 3-[4-(4H-1,2,4-triazol-4-yl)phenyl]propanoic acid |
| Molecular Weight: | 217.22 |
| Molecular Formula: | C11 H11 N3 O2 |
| Smiles: | C(Cc1ccc(cc1)n1cnnc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9132 |
| logD: | -1.8877 |
| logSw: | -1.5285 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.654 |
| InChI Key: | OYKWSABIJJQOFT-UHFFFAOYSA-N |