3-[(6-nitro-2-oxo-2H-1-benzopyran-3-carbonyl)amino]benzoic acid
Chemical Structure Depiction of
3-[(6-nitro-2-oxo-2H-1-benzopyran-3-carbonyl)amino]benzoic acid
3-[(6-nitro-2-oxo-2H-1-benzopyran-3-carbonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | 8007-6474 |
| Compound Name: | 3-[(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(Nc2cccc(c2)C(O)=O)=O)C(=O)Oc2ccc(cc12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9667 |
| logD: | 0.0809 |
| logSw: | -3.6217 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.041 |
| InChI Key: | REDDAESVISWPKA-UHFFFAOYSA-N |