Molecule ID: mol1201
SMILES: COc1cc(N)cc2ccccc12
InChI: InChI=1S/C11H11NO/c1-13-11-7-9(12)6-8-4-2-3-5-10(8)11/h2-7H,12H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.05 | IUPAC digitized pKa | 1 » 0 |
| 4.05 | Hunt | 1 » 0 |
| 4.05 | OCHEM | 1 » 0 |
| 4.05 | AttenGpKa training set | 1 » 0 |
| 4.50 | QSARToolbox | 1 » 0 |