Molecule ID: mol5091
SMILES: Cc1cc2c(C)ccnc2c2ncccc12
InChI: InChI=1S/C14H12N2/c1-9-5-7-16-14-12(9)8-10(2)11-4-3-6-15-13(11)14/h3-8H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.69 | IUPAC digitized pKa | 1 » 0 |
| 5.71 | Datawarrior | 1 » 0 |
| 5.71 | OCHEM | 1 » 0 |
| 5.71 | AttenGpKa training set | 1 » 0 |
| 5.71 | QSARToolbox | 1 » 0 |