4-[2-(2-carboxyethyl)-5-(4-methylphenyl)-1H-pyrrol-1-yl]benzoic acid
Chemical Structure Depiction of
4-[2-(2-carboxyethyl)-5-(4-methylphenyl)-1H-pyrrol-1-yl]benzoic acid
4-[2-(2-carboxyethyl)-5-(4-methylphenyl)-1H-pyrrol-1-yl]benzoic acid
Compound characteristics
| Compound ID: | 6060-0054 |
| Compound Name: | 4-[2-(2-carboxyethyl)-5-(4-methylphenyl)-1H-pyrrol-1-yl]benzoic acid |
| Molecular Weight: | 349.38 |
| Molecular Formula: | C21 H19 N O4 |
| Smiles: | Cc1ccc(cc1)c1ccc(CCC(O)=O)n1c1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5365 |
| logD: | 1.6503 |
| logSw: | -4.237 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.188 |
| InChI Key: | NXNMRMWZQDVZGA-UHFFFAOYSA-N |