Molecule ID: mol14206
SMILES: COc1ccc(NCO)cc1
InChI: InChI=1S/C8H11NO2/c1-11-8-4-2-7(3-5-8)9-6-10/h2-5,9-10H,6H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.72 | Datawarrior | 1 » 0 |
| 3.72 | OCHEM | 1 » 0 |
| 3.72 | AttenGpKa training set | 1 » 0 |
| 3.72 | QSARToolbox | 1 » 0 |