Molecule ID: mol5087
SMILES: Cc1ccc2ccc3ccc(C)nc3c2n1
InChI: InChI=1S/C14H12N2/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9/h3-8H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.85 | IUPAC digitized pKa | 1 » 0 |
| 5.96 | AttenGpKa training set | 1 » 0 |
| 6.15 | IUPAC digitized pKa | 1 » 0 |
| 6.15 | IUPAC digitized pKa | 1 » 0 |
| 6.15 | Datawarrior | 1 » 0 |
| 6.15 | QSARToolbox | 1 » 0 |
| 6.15 | OCHEM | 1 » 0 |