Molecule ID: mol26209
SMILES: Cc1cnc2c(n1)N=CN[C@@H]2O
InChI: InChI=1S/C7H8N4O/c1-4-2-8-5-6(11-4)9-3-10-7(5)12/h2-3,7,12H,1H3,(H,9,10,11)/t7-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.91 | AttenGpKa training set | 1 » 0 |
| 11.76 | AttenGpKa training set | 0 » -1 |