4-[3-(methylsulfanyl)anilino]-4-oxobutanoic acid
Chemical Structure Depiction of
4-[3-(methylsulfanyl)anilino]-4-oxobutanoic acid
4-[3-(methylsulfanyl)anilino]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 8008-8039 |
| Compound Name: | 4-[3-(methylsulfanyl)anilino]-4-oxobutanoic acid |
| Molecular Weight: | 239.29 |
| Molecular Formula: | C11 H13 N O3 S |
| Smiles: | CSc1cccc(c1)NC(CCC(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2505 |
| logD: | -1.6989 |
| logSw: | -2.1492 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.772 |
| InChI Key: | UBMWDGPGGWBZJN-UHFFFAOYSA-N |