4-(3-chloro-1H-1,2,4-triazol-1-yl)butanoic acid
Chemical Structure Depiction of
4-(3-chloro-1H-1,2,4-triazol-1-yl)butanoic acid
4-(3-chloro-1H-1,2,4-triazol-1-yl)butanoic acid
Compound characteristics
| Compound ID: | Y507-1085 |
| Compound Name: | 4-(3-chloro-1H-1,2,4-triazol-1-yl)butanoic acid |
| Molecular Weight: | 189.6 |
| Molecular Formula: | C6 H8 Cl N3 O2 |
| Smiles: | C(CC(O)=O)Cn1cnc(n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | -0.4083 |
| logD: | -3.1275 |
| logSw: | -1.478 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.694 |
| InChI Key: | NUUYPDXHWAHCLA-UHFFFAOYSA-N |