3-[2-(4-bromophenyl)-5-(2-carboxyethyl)-1H-pyrrol-1-yl]benzoic acid
Chemical Structure Depiction of
3-[2-(4-bromophenyl)-5-(2-carboxyethyl)-1H-pyrrol-1-yl]benzoic acid
3-[2-(4-bromophenyl)-5-(2-carboxyethyl)-1H-pyrrol-1-yl]benzoic acid
Compound characteristics
| Compound ID: | 6060-0164 |
| Compound Name: | 3-[2-(4-bromophenyl)-5-(2-carboxyethyl)-1H-pyrrol-1-yl]benzoic acid |
| Molecular Weight: | 414.25 |
| Molecular Formula: | C20 H16 Br N O4 |
| Smiles: | C(Cc1ccc(c2ccc(cc2)[Br])n1c1cccc(c1)C(O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0054 |
| logD: | 0.3734 |
| logSw: | -4.7075 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.188 |
| InChI Key: | ZKPMKOLIBHAKHG-UHFFFAOYSA-N |