Molecule ID: mol13060
SMILES: CNc1ccc(OC)cc1
InChI: InChI=1S/C8H11NO/c1-9-7-3-5-8(10-2)6-4-7/h3-6,9H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.63 | AttenGpKa training set | 1 » 0 |
| 5.93 | OCHEM | 1 » 0 |
| 5.93 | QSARToolbox | 1 » 0 |
| 5.93 | Datawarrior | 1 » 0 |