Molecule ID: mol10107
SMILES: Cn1c(=O)[nH]c2nccnc2c1=O
InChI: InChI=1S/C7H6N4O2/c1-11-6(12)4-5(10-7(11)13)9-3-2-8-4/h2-3H,1H3,(H,9,10,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.00 | IUPAC digitized pKa | 0 » -1 |
| 8.00 | IUPAC digitized pKa | 0 » -1 |
| 8.00 | AttenGpKa training set | 0 » -1 |