2-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzene-1-sulfonic acid
Chemical Structure Depiction of
2-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzene-1-sulfonic acid
2-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzene-1-sulfonic acid
Compound characteristics
| Compound ID: | 8008-5749 |
| Compound Name: | 2-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzene-1-sulfonic acid |
| Molecular Weight: | 379.37 |
| Molecular Formula: | C14 H9 N3 O6 S2 |
| Smiles: | c1ccc(c(c1)C(Nc1nc2ccc(cc2s1)[N+]([O-])=O)=O)S(O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6001 |
| logD: | -13.0999 |
| logSw: | -2.4988 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.886 |
| InChI Key: | PCJPDJFWFDTFLW-UHFFFAOYSA-N |