6-(1,3-benzothiazol-2-yl)cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-(1,3-benzothiazol-2-yl)cyclohex-3-ene-1-carboxylic acid
6-(1,3-benzothiazol-2-yl)cyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | 8017-6060 |
| Compound Name: | 6-(1,3-benzothiazol-2-yl)cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 259.32 |
| Molecular Formula: | C14 H13 N O2 S |
| Smiles: | C1C=CCC(C1C(O)=O)c1nc2ccccc2s1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3275 |
| logD: | 1.0939 |
| logSw: | -3.5167 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.288 |
| InChI Key: | WWZWHMKDOILESF-UHFFFAOYSA-N |