3-[(4-chlorophenyl)sulfanyl]propanoic acid
Chemical Structure Depiction of
3-[(4-chlorophenyl)sulfanyl]propanoic acid
3-[(4-chlorophenyl)sulfanyl]propanoic acid
Compound characteristics
| Compound ID: | K780-0739 |
| Compound Name: | 3-[(4-chlorophenyl)sulfanyl]propanoic acid |
| Molecular Weight: | 216.68 |
| Molecular Formula: | C9 H9 Cl O2 S |
| Smiles: | C(CSc1ccc(cc1)[Cl])C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5882 |
| logD: | -0.0818 |
| logSw: | -2.6159 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.6222 |
| InChI Key: | JGJULSJGGIMHBK-UHFFFAOYSA-N |