(3-chloro-1H-1,2,4-triazol-1-yl)acetic acid
Chemical Structure Depiction of
(3-chloro-1H-1,2,4-triazol-1-yl)acetic acid
(3-chloro-1H-1,2,4-triazol-1-yl)acetic acid
Compound characteristics
| Compound ID: | Y507-1063 |
| Compound Name: | (3-chloro-1H-1,2,4-triazol-1-yl)acetic acid |
| Molecular Weight: | 161.54 |
| Molecular Formula: | C4 H4 Cl N3 O2 |
| Smiles: | C(C(O)=O)n1cnc(n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | -1.0221 |
| logD: | -4.5756 |
| logSw: | -1.3875 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.715 |
| InChI Key: | XSFLDYOEYMCYCL-UHFFFAOYSA-N |