Molecule ID: mol5099
SMILES: Cc1ccc2ccc3cccnc3c2n1
InChI: InChI=1S/C13H10N2/c1-9-4-5-11-7-6-10-3-2-8-14-12(10)13(11)15-9/h2-8H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.30 | QSARToolbox | 1 » 0 |
| 5.36 | Datawarrior | 1 » 0 |
| 5.36 | OCHEM | 1 » 0 |
| 5.39 | IUPAC digitized pKa | 1 » 0 |
| 5.42 | IUPAC digitized pKa | 1 » 0 |
| 5.42 | QSARToolbox | 1 » 0 |
| 5.45 | IUPAC digitized pKa | 1 » 0 |