Molecule ID: mol18712
SMILES: COc1cc(NS(C)(=O)=O)ccc1Cc1c2ccccc2nc2cc([N+](=O)[O-])ccc12
InChI: InChI=1S/C22H19N3O5S/c1-30-22-12-15(24-31(2,28)29)8-7-14(22)11-19-17-5-3-4-6-20(17)23-21-13-16(25(26)27)9-10-18(19)21/h3-10,12-13,24H,11H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.72 | Baltruschat ChEMBL | 1 » 0 |