2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxylic acid
Chemical Structure Depiction of
2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxylic acid
2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxylic acid
Compound characteristics
| Compound ID: | Y042-7699 |
| Compound Name: | 2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxylic acid |
| Molecular Weight: | 244.27 |
| Molecular Formula: | C12 H8 N2 O2 S |
| Smiles: | c1ccn(c1)c1nc2ccc(cc2s1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6246 |
| logD: | 1.1956 |
| logSw: | -3.8862 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.168 |
| InChI Key: | DPZMSPMBTFFIAN-UHFFFAOYSA-N |