4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanoic acid
Chemical Structure Depiction of
4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanoic acid
4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanoic acid
Compound characteristics
| Compound ID: | Y042-2853 |
| Compound Name: | 4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanoic acid |
| Molecular Weight: | 237.27 |
| Molecular Formula: | C11 H11 N O3 S |
| Smiles: | C(CC(O)=O)CN1C(c2ccccc2S1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6699 |
| logD: | -2.151 |
| logSw: | -2.1378 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.261 |
| InChI Key: | XEAFJQMIKUQLNM-UHFFFAOYSA-N |