Molecule ID: mol8018
SMILES: Cc1c(Cc2ccccc2)cnc2nc(N)nc(N)c12
InChI: InChI=1S/C15H15N5/c1-9-11(7-10-5-3-2-4-6-10)8-18-14-12(9)13(16)19-15(17)20-14/h2-6,8H,7H2,1H3,(H4,16,17,18,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.98 | IUPAC digitized pKa | 1 » 0 |
| 6.98 | OCHEM | 1 » 0 |
| 6.98 | AttenGpKa training set | 1 » 0 |
| 6.98 | QSARToolbox | 1 » 0 |