Molecule ID: mol25841
SMILES: Cc1cc(O)nc(NC(=N)Nc2ccc(Cl)cc2)n1
InChI: InChI=1S/C12H12ClN5O/c1-7-6-10(19)17-12(15-7)18-11(14)16-9-4-2-8(13)3-5-9/h2-6H,1H3,(H4,14,15,16,17,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.00 | QSARToolbox | 0 » -1 |
| 10.00 | AttenGpKa training set | 0 » -1 |