3-[5-(4-bromophenyl)-1-propyl-1H-pyrrol-2-yl]propanoic acid
Chemical Structure Depiction of
3-[5-(4-bromophenyl)-1-propyl-1H-pyrrol-2-yl]propanoic acid
3-[5-(4-bromophenyl)-1-propyl-1H-pyrrol-2-yl]propanoic acid
Compound characteristics
| Compound ID: | 6060-0077 |
| Compound Name: | 3-[5-(4-bromophenyl)-1-propyl-1H-pyrrol-2-yl]propanoic acid |
| Molecular Weight: | 336.23 |
| Molecular Formula: | C16 H18 Br N O2 |
| Smiles: | CCCn1c(CCC(O)=O)ccc1c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.5981 |
| logD: | 1.7843 |
| logSw: | -4.2315 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.286 |
| InChI Key: | KXWVDVWPAICGTP-UHFFFAOYSA-N |