Molecule ID: mol5150
SMILES: CN(C)c1ccc2cc3c(ccc4ccccc43)nc2c1
InChI: InChI=1S/C19H16N2/c1-21(2)15-9-7-14-11-17-16-6-4-3-5-13(16)8-10-18(17)20-19(14)12-15/h3-12H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.28 | IUPAC digitized pKa | 1 » 0 |
| 7.28 | QSARToolbox | 1 » 0 |
| 7.31 | OCHEM | 1 » 0 |
| 7.31 | QSARToolbox | 1 » 0 |
| 7.31 | Datawarrior | 1 » 0 |
| 7.31 | AttenGpKa training set | 1 » 0 |