Molecule ID: mol6277
SMILES: Cc1cccc2c(N)ccc(C)c12
InChI: InChI=1S/C12H13N/c1-8-4-3-5-10-11(13)7-6-9(2)12(8)10/h3-7H,13H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.42 | IUPAC digitized pKa | 1 » 0 |
| 4.42 | OCHEM | 1 » 0 |
| 4.42 | AttenGpKa training set | 1 » 0 |
| 4.42 | QSARToolbox | 1 » 0 |
| 4.42 | QSARToolbox | 1 » 0 |