Molecule ID: mol2107
SMILES: COc1ccc2ccc(N)cc2c1
InChI: InChI=1S/C11H11NO/c1-13-11-5-3-8-2-4-10(12)6-9(8)7-11/h2-7H,12H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.19 | IUPAC digitized pKa | 1 » 0 |
| 4.19 | Hunt | 1 » 0 |
| 4.19 | OCHEM | 1 » 0 |
| 4.19 | AttenGpKa training set | 1 » 0 |
| 4.19 | QSARToolbox | 1 » 0 |