2-[(3-nitro-4-oxo-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl)amino]benzoic acid
Chemical Structure Depiction of
2-[(3-nitro-4-oxo-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl)amino]benzoic acid
2-[(3-nitro-4-oxo-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl)amino]benzoic acid
Compound characteristics
| Compound ID: | 8017-4486 |
| Compound Name: | 2-[(3-nitro-4-oxo-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl)amino]benzoic acid |
| Molecular Weight: | 315.24 |
| Molecular Formula: | C13 H9 N5 O5 |
| Smiles: | C1=C(NC(c2c(cnn12)[N+]([O-])=O)=O)Nc1ccccc1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3262 |
| logD: | -1.6964 |
| logSw: | -2.1572 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.859 |
| InChI Key: | PVGCEUGAEBHSOB-UHFFFAOYSA-N |