Molecule ID: mol8269
SMILES: Sc1nc2cncnc2n1Cc1ccccc1
InChI: InChI=1S/C12H10N4S/c17-12-15-10-6-13-8-14-11(10)16(12)7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,15,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.69 | AttenGpKa training set | 1 » 0 |
| 7.11 | AttenGpKa training set | 0 » -1 |
| 7.16 | IUPAC digitized pKa | 0 » -1 |