Molecule ID: mol19012
SMILES: O=C1N=S(=O)(Nc2ccccc2)c2ccccc21
InChI: InChI=1S/C13H10N2O2S/c16-13-11-8-4-5-9-12(11)18(17,15-13)14-10-6-2-1-3-7-10/h1-9H,(H,14,15,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.10 | Baltruschat ChEMBL | 1 » 0 |