Molecule ID: mol21308
SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(C)cc2nc2cc([N+](=O)[O-])ccc12
InChI: InChI=1S/C22H20N4O5S/c1-13-4-7-16-19(10-13)23-20-12-15(26(27)28)6-8-17(20)22(16)24-18-9-5-14(11-21(18)31-2)25-32(3,29)30/h4-12,25H,1-3H3,(H,23,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.03 | Baltruschat ChEMBL | 1 » 0 |