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 |