3-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]benzoic acid
Chemical Structure Depiction of
3-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]benzoic acid
3-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]benzoic acid
Compound characteristics
| Compound ID: | 3966-0544 |
| Compound Name: | 3-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]benzoic acid |
| Molecular Weight: | 327.72 |
| Molecular Formula: | C17 H10 Cl N O4 |
| Smiles: | c1ccc2C(C(=C(C(c2c1)=O)Nc1cccc(c1)C(O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9691 |
| logD: | 1.0833 |
| logSw: | -4.2177 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.972 |
| InChI Key: | TYLPTGMQARBNQU-UHFFFAOYSA-N |