4-(3-nitro-1H-1,2,4-triazol-1-yl)butanoic acid
Chemical Structure Depiction of
4-(3-nitro-1H-1,2,4-triazol-1-yl)butanoic acid
4-(3-nitro-1H-1,2,4-triazol-1-yl)butanoic acid
Compound characteristics
| Compound ID: | R052-2666 |
| Compound Name: | 4-(3-nitro-1H-1,2,4-triazol-1-yl)butanoic acid |
| Molecular Weight: | 200.15 |
| Molecular Formula: | C6 H8 N4 O4 |
| Smiles: | C(CC(O)=O)Cn1cnc(n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -0.9099 |
| logD: | -3.629 |
| logSw: | -0.7447 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.268 |
| InChI Key: | VKHMLQUUROMVFW-UHFFFAOYSA-N |