4-[(6-nitro-2-oxo-2H-1-benzopyran-3-carbonyl)amino]benzoic acid
Chemical Structure Depiction of
4-[(6-nitro-2-oxo-2H-1-benzopyran-3-carbonyl)amino]benzoic acid
4-[(6-nitro-2-oxo-2H-1-benzopyran-3-carbonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | 3720-0120 |
| Compound Name: | 4-[(6-nitro-2-oxo-2H-1-benzopyran-3-carbonyl)amino]benzoic acid |
| Molecular Weight: | 354.27 |
| Molecular Formula: | C17 H10 N2 O7 |
| Smiles: | C1=C(C(Nc2ccc(cc2)C(O)=O)=O)C(=O)Oc2ccc(cc12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.691 |
| logD: | 0.2958 |
| logSw: | -3.3311 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.041 |
| InChI Key: | RKRJJKDKHIMTHI-UHFFFAOYSA-N |