2-(3-oxo-1,2-benzothiazol-2(3H)-yl)pentanoic acid
Chemical Structure Depiction of
2-(3-oxo-1,2-benzothiazol-2(3H)-yl)pentanoic acid
2-(3-oxo-1,2-benzothiazol-2(3H)-yl)pentanoic acid
Compound characteristics
| Compound ID: | Y042-2884 |
| Compound Name: | 2-(3-oxo-1,2-benzothiazol-2(3H)-yl)pentanoic acid |
| Molecular Weight: | 251.3 |
| Molecular Formula: | C12 H13 N O3 S |
| Smiles: | CCCC(C(O)=O)N1C(c2ccccc2S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0631 |
| logD: | -2.0055 |
| logSw: | -2.6205 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.792 |
| InChI Key: | URTAPAHJDDXJFQ-VIFPVBQESA-N |