2-[(1,3-benzoxazol-2-yl)sulfanyl]propanoic acid
Chemical Structure Depiction of
2-[(1,3-benzoxazol-2-yl)sulfanyl]propanoic acid
2-[(1,3-benzoxazol-2-yl)sulfanyl]propanoic acid
Compound characteristics
| Compound ID: | D058-0185 |
| Compound Name: | 2-[(1,3-benzoxazol-2-yl)sulfanyl]propanoic acid |
| Molecular Weight: | 223.25 |
| Molecular Formula: | C10 H9 N O3 S |
| Smiles: | CC(C(O)=O)Sc1nc2ccccc2o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2889 |
| logD: | -0.9175 |
| logSw: | -2.4248 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.31 |
| InChI Key: | MWCCDEDKPAULRG-LURJTMIESA-N |