3-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}propanoic acid
Chemical Structure Depiction of
3-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}propanoic acid
3-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}propanoic acid
Compound characteristics
| Compound ID: | D715-2632 |
| Compound Name: | 3-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}propanoic acid |
| Molecular Weight: | 236.29 |
| Molecular Formula: | C11 H12 N2 O2 S |
| Smiles: | C(CSCc1nc2ccccc2[nH]1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7648 |
| logD: | -1.7999 |
| logSw: | -2.1694 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.904 |
| InChI Key: | QBQCNGGOVIRVHY-UHFFFAOYSA-N |