2,3-dichloro-4-[(1H-1,2,4-triazol-5-yl)imino]but-2-enoic acid
Chemical Structure Depiction of
2,3-dichloro-4-[(1H-1,2,4-triazol-5-yl)imino]but-2-enoic acid
2,3-dichloro-4-[(1H-1,2,4-triazol-5-yl)imino]but-2-enoic acid
Compound characteristics
| Compound ID: | C301-3836 |
| Compound Name: | 2,3-dichloro-4-[(1H-1,2,4-triazol-5-yl)imino]but-2-enoic acid |
| Molecular Weight: | 235.03 |
| Molecular Formula: | C6 H4 Cl2 N4 O2 |
| Smiles: | C(/C(=C(/C(O)=O)[Cl])[Cl])=N/c1ncn[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 0.73 |
| logD: | -5.5479 |
| logSw: | -2.1183 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.883 |
| InChI Key: | SLJKYSKEHJSPHV-UHFFFAOYSA-N |