Molecule ID: mol29542
SMILES: Cc1nc(S)nc2c1ncn2C
InChI: InChI=1S/C7H8N4S/c1-4-5-6(10-7(12)9-4)11(2)3-8-5/h3H,1-2H3,(H,9,10,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.00 | AttenGpKa training set | 2 » 1 |
| 8.01 | AttenGpKa training set | 0 » -1 |