Molecule ID: mol7668
SMILES: Nc1n[nH]c(-c2ccccc2)n1
InChI: InChI=1S/C8H8N4/c9-8-10-7(11-12-8)6-4-2-1-3-5-6/h1-5H,(H3,9,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.93 | IUPAC digitized pKa | 1 » 0 |
| 3.93 | AttenGpKa training set | 1 » 0 |