Molecule ID: mol4672
SMILES: COc1nc2ccccc2nc1OC
InChI: InChI=1S/C10H10N2O2/c1-13-9-10(14-2)12-8-6-4-3-5-7(8)11-9/h3-6H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.15 | Datawarrior | 1 » 0 |
| -1.15 | OCHEM | 1 » 0 |
| -1.15 | AttenGpKa training set | 1 » 0 |
| -0.85 | OCHEM | 1 » 0 |