3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoic acid
Chemical Structure Depiction of
3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoic acid
3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoic acid
Compound characteristics
| Compound ID: | N013-0012 |
| Compound Name: | 3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoic acid |
| Molecular Weight: | 223.25 |
| Molecular Formula: | C10 H9 N O3 S |
| Smiles: | C(CN1C(=O)Sc2ccccc12)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0079 |
| logD: | -1.499 |
| logSw: | -1.8963 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.445 |
| InChI Key: | MNJIHLQXWFMJRV-UHFFFAOYSA-N |