Molecule ID: mol4785
SMILES: Cn1c(=O)cnc2cncnc21
InChI: InChI=1S/C7H6N4O/c1-11-6(12)3-9-5-2-8-4-10-7(5)11/h2-4H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.10 | IUPAC digitized pKa | 1 » 0 |
| 1.10 | AttenGpKa training set | 1 » 0 |
| 1.10 | QSARToolbox | 1 » 0 |