3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanoic acid
Chemical Structure Depiction of
3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanoic acid
3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanoic acid
Compound characteristics
| Compound ID: | 1213-0017 |
| Compound Name: | 3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanoic acid |
| Molecular Weight: | 255.25 |
| Molecular Formula: | C10 H9 N O5 S |
| Smiles: | C(CN1C(c2ccccc2S1(=O)=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.7236 |
| logD: | -3.4193 |
| logSw: | -2.1735 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.817 |
| InChI Key: | GZWYJHUJOLOMKY-UHFFFAOYSA-N |