Molecule ID: mol5090
SMILES: Cc1cnc2c(ccc3cc(C)cnc32)c1
InChI: InChI=1S/C14H12N2/c1-9-5-11-3-4-12-6-10(2)8-16-14(12)13(11)15-7-9/h3-8H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.21 | IUPAC digitized pKa | 1 » 0 |
| 5.23 | Datawarrior | 1 » 0 |
| 5.23 | OCHEM | 1 » 0 |
| 5.23 | AttenGpKa training set | 1 » 0 |
| 5.23 | QSARToolbox | 1 » 0 |