Molecule ID: mol21427
SMILES: COc1ccc(C(Cc2cc([N+](=O)[O-])ccc2OC)c2csc(N)n2)cc1
InChI: InChI=1S/C19H19N3O4S/c1-25-15-6-3-12(4-7-15)16(17-11-27-19(20)21-17)10-13-9-14(22(23)24)5-8-18(13)26-2/h3-9,11,16H,10H2,1-2H3,(H2,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.50 | OCHEM | 1 » 0 |
| 5.50 | Baltruschat ChEMBL | 1 » 0 |