(3-nitro-1H-1,2,4-triazol-1-yl)acetic acid
Chemical Structure Depiction of
(3-nitro-1H-1,2,4-triazol-1-yl)acetic acid
(3-nitro-1H-1,2,4-triazol-1-yl)acetic acid
Compound characteristics
| Compound ID: | K061-1153 |
| Compound Name: | (3-nitro-1H-1,2,4-triazol-1-yl)acetic acid |
| Molecular Weight: | 172.1 |
| Molecular Formula: | C4 H4 N4 O4 |
| Smiles: | C(C(O)=O)n1cnc(n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -1.5236 |
| logD: | -5.0772 |
| logSw: | -0.7971 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.29 |
| InChI Key: | JNJSKDYVVRMEPN-UHFFFAOYSA-N |