3-[5-(4-bromophenyl)-1-butyl-1H-pyrrol-2-yl]propanoic acid
Chemical Structure Depiction of
3-[5-(4-bromophenyl)-1-butyl-1H-pyrrol-2-yl]propanoic acid
3-[5-(4-bromophenyl)-1-butyl-1H-pyrrol-2-yl]propanoic acid
Compound characteristics
| Compound ID: | 6060-0083 |
| Compound Name: | 3-[5-(4-bromophenyl)-1-butyl-1H-pyrrol-2-yl]propanoic acid |
| Molecular Weight: | 350.25 |
| Molecular Formula: | C17 H20 Br N O2 |
| Smiles: | CCCCn1c(CCC(O)=O)ccc1c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.0163 |
| logD: | 2.2024 |
| logSw: | -4.3267 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.286 |
| InChI Key: | DFDXTQCTBIMDML-UHFFFAOYSA-N |