Molecule ID: mol1198
SMILES: COc1cc(N)c2ccccc2c1
InChI: InChI=1S/C11H11NO/c1-13-9-6-8-4-2-3-5-10(8)11(12)7-9/h2-7H,12H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.26 | QSARToolbox | 1 » 0 |
| 3.26 | IUPAC digitized pKa | 1 » 0 |
| 3.26 | Hunt | 1 » 0 |
| 3.26 | OCHEM | 1 » 0 |
| 3.26 | AttenGpKa training set | 1 » 0 |