2-{2-oxo-2-[3-(1H-pyrrol-1-yl)anilino]ethyl}benzoic acid
Chemical Structure Depiction of
2-{2-oxo-2-[3-(1H-pyrrol-1-yl)anilino]ethyl}benzoic acid
2-{2-oxo-2-[3-(1H-pyrrol-1-yl)anilino]ethyl}benzoic acid
Compound characteristics
| Compound ID: | IB08-2220 |
| Compound Name: | 2-{2-oxo-2-[3-(1H-pyrrol-1-yl)anilino]ethyl}benzoic acid |
| Molecular Weight: | 320.35 |
| Molecular Formula: | C19 H16 N2 O3 |
| Smiles: | C(C(Nc1cccc(c1)n1cccc1)=O)c1ccccc1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8 |
| logD: | 0.53 |
| logSw: | -4.57 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.16 |
| InChI Key: | ZAWHREZNZJZPAJ-UHFFFAOYSA-N |