Molecule ID: mol4411
SMILES: Cc1cc2ccccc2nc1C
InChI: InChI=1S/C11H11N/c1-8-7-10-5-3-4-6-11(10)12-9(8)2/h3-7H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.93 | OCHEM | 1 » 0 |
| 4.93 | Datawarrior | 1 » 0 |
| 4.94 | IUPAC digitized pKa | 1 » 0 |
| 4.94 | OCHEM | 1 » 0 |
| 4.94 | QSARToolbox | 1 » 0 |
| 9.06 | QSARToolbox | 1 » 0 |