Molecule ID: mol4414
SMILES: Cc1ccc2ccc(C)nc2c1
InChI: InChI=1S/C11H11N/c1-8-3-5-10-6-4-9(2)12-11(10)7-8/h3-7H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.01 | Datawarrior | 1 » 0 |
| 5.01 | OCHEM | 1 » 0 |
| 5.02 | IUPAC digitized pKa | 1 » 0 |
| 5.20 | QSARToolbox | 1 » 0 |
| 8.98 | QSARToolbox | 1 » 0 |