2-(4-nitrophenyl)-1,3-benzothiazole-6-carboxylic acid
Chemical Structure Depiction of
2-(4-nitrophenyl)-1,3-benzothiazole-6-carboxylic acid
2-(4-nitrophenyl)-1,3-benzothiazole-6-carboxylic acid
Compound characteristics
| Compound ID: | 7177-0012 |
| Compound Name: | 2-(4-nitrophenyl)-1,3-benzothiazole-6-carboxylic acid |
| Molecular Weight: | 300.29 |
| Molecular Formula: | C14 H8 N2 O4 S |
| Smiles: | c1cc(ccc1c1nc2ccc(cc2s1)C(O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0778 |
| logD: | 1.6488 |
| logSw: | -4.3413 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.477 |
| InChI Key: | HWGHIOJSUIQXMU-UHFFFAOYSA-N |