(3-oxo-1,2-benzothiazol-2(3H)-yl)acetic acid
Chemical Structure Depiction of
(3-oxo-1,2-benzothiazol-2(3H)-yl)acetic acid
(3-oxo-1,2-benzothiazol-2(3H)-yl)acetic acid
Compound characteristics
| Compound ID: | Y040-9081 |
| Compound Name: | (3-oxo-1,2-benzothiazol-2(3H)-yl)acetic acid |
| Molecular Weight: | 209.22 |
| Molecular Formula: | C9 H7 N O3 S |
| Smiles: | C(C(O)=O)N1C(c2ccccc2S1)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0466 |
| logD: | -4.3836 |
| logSw: | -2.2826 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.283 |
| InChI Key: | JNNXIBWXEGAIMV-UHFFFAOYSA-N |