Molecule ID: mol32356
SMILES: Cc1cc(N=Nc2nc3ccccc3s2)c(O)c2ncccc12
InChI: InChI=1S/C17H12N4OS/c1-10-9-13(16(22)15-11(10)5-4-8-18-15)20-21-17-19-12-6-2-3-7-14(12)23-17/h2-9,22H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.60 | QSARToolbox | 0 » -1 |
| 9.60 | OCHEM | 0 » -1 |