Molecule ID: mol25888
SMILES: CCOC(C)(O)n1ccnc1
InChI: InChI=1S/C7H12N2O2/c1-3-11-7(2,10)9-5-4-8-6-9/h4-6,10H,3H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.93 | AttenGpKa training set | 1 » 0 |
| 7.17 | AttenGpKa training set | 1 » 0 |
| 9.74 | AttenGpKa training set | 0 » -1 |