Molecule ID: mol7052
SMILES: Cc1nc(N)nc(C)c1-c1ccccc1
InChI: InChI=1S/C12H13N3/c1-8-11(9(2)15-12(13)14-8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.61 | OCHEM | 1 » 0 |
| 4.91 | QSARToolbox | 1 » 0 |
| 4.91 | IUPAC digitized pKa | 1 » 0 |