4-(4-methylphenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)-4-oxobutanoic acid
Chemical Structure Depiction of
4-(4-methylphenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)-4-oxobutanoic acid
4-(4-methylphenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 7201-0012F |
| Compound Name: | 4-(4-methylphenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)-4-oxobutanoic acid |
| Molecular Weight: | 304.26 |
| Molecular Formula: | C13 H12 N4 O5 |
| Smiles: | Cc1ccc(cc1)C(CC(C(O)=O)n1cnc(n1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6583 |
| logD: | -2.5591 |
| logSw: | -1.6076 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.678 |
| InChI Key: | OEANJVRCXHQERV-JTQLQIEISA-N |