3-[(3-amino-2-oxo-2H-1-benzopyran-4-yl)amino]benzoic acid
Chemical Structure Depiction of
3-[(3-amino-2-oxo-2H-1-benzopyran-4-yl)amino]benzoic acid
3-[(3-amino-2-oxo-2H-1-benzopyran-4-yl)amino]benzoic acid
Compound characteristics
| Compound ID: | 1069-0029 |
| Compound Name: | 3-[(3-amino-2-oxo-2H-1-benzopyran-4-yl)amino]benzoic acid |
| Molecular Weight: | 296.28 |
| Molecular Formula: | C16 H12 N2 O4 |
| Smiles: | c1ccc2c(c1)C(=C(C(=O)O2)N)Nc1cccc(c1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4892 |
| logD: | 2.4892 |
| logSw: | -3.0869 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 79.787 |
| InChI Key: | YIBVESIGPXBMPP-UHFFFAOYSA-N |