Molecule ID: mol5123
SMILES: Nc1ccc2nc3cc(N)ccc3nc2c1
InChI: InChI=1S/C12H10N4/c13-7-1-3-9-11(5-7)16-10-4-2-8(14)6-12(10)15-9/h1-6H,13-14H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.29 | OCHEM | 1 » 0 |
| 4.29 | OCHEM | 1 » 0 |
| 4.59 | IUPAC digitized pKa | 1 » 0 |
| 4.63 | AttenGpKa training set | 1 » 0 |