3-(3-oxo-1,2-benzothiazol-2(3H)-yl)propanoic acid
Chemical Structure Depiction of
3-(3-oxo-1,2-benzothiazol-2(3H)-yl)propanoic acid
3-(3-oxo-1,2-benzothiazol-2(3H)-yl)propanoic acid
Compound characteristics
| Compound ID: | Y042-2886 |
| Compound Name: | 3-(3-oxo-1,2-benzothiazol-2(3H)-yl)propanoic acid |
| Molecular Weight: | 223.25 |
| Molecular Formula: | C10 H9 N O3 S |
| Smiles: | C(CN1C(c2ccccc2S1)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4407 |
| logD: | -2.255 |
| logSw: | -2.1743 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.261 |
| InChI Key: | SXQUSVVYDTZILU-UHFFFAOYSA-N |