Molecule ID: mol6278
SMILES: Cc1cccc2cc(N)cc(C)c12
InChI: InChI=1S/C12H13N/c1-8-4-3-5-10-7-11(13)6-9(2)12(8)10/h3-7H,13H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.27 | QSARToolbox | 1 » 0 |
| 4.27 | QSARToolbox | 1 » 0 |
| 4.27 | IUPAC digitized pKa | 1 » 0 |
| 4.27 | OCHEM | 1 » 0 |
| 4.27 | AttenGpKa training set | 1 » 0 |