Molecule ID: mol1200
SMILES: COc1ccc2cccc(N)c2c1
InChI: InChI=1S/C11H11NO/c1-13-9-6-5-8-3-2-4-11(12)10(8)7-9/h2-7H,12H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.07 | IUPAC digitized pKa | 1 » 0 |
| 4.07 | Hunt | 1 » 0 |
| 4.07 | OCHEM | 1 » 0 |
| 4.07 | AttenGpKa training set | 1 » 0 |
| 4.70 | QSARToolbox | 1 » 0 |