3-{[2-(pyridin-4-yl)ethyl]sulfanyl}propanoic acid
Chemical Structure Depiction of
3-{[2-(pyridin-4-yl)ethyl]sulfanyl}propanoic acid
3-{[2-(pyridin-4-yl)ethyl]sulfanyl}propanoic acid
Compound characteristics
| Compound ID: | R152-2300 |
| Compound Name: | 3-{[2-(pyridin-4-yl)ethyl]sulfanyl}propanoic acid |
| Molecular Weight: | 211.28 |
| Molecular Formula: | C10 H13 N O2 S |
| Smiles: | C(CSCCc1ccncc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7873 |
| logD: | -2.7774 |
| logSw: | -1.3733 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.05 |
| InChI Key: | CQENZGODHXEUQJ-UHFFFAOYSA-N |