Molecule ID: mol5101
SMILES: Cc1cc2cccnc2c2ncccc12
InChI: InChI=1S/C13H10N2/c1-9-8-10-4-2-6-14-12(10)13-11(9)5-3-7-15-13/h2-8H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.21 | IUPAC digitized pKa | 1 » 0 |
| 5.26 | IUPAC digitized pKa | 1 » 0 |
| 5.26 | Datawarrior | 1 » 0 |
| 5.26 | OCHEM | 1 » 0 |
| 5.26 | QSARToolbox | 1 » 0 |
| 5.28 | IUPAC digitized pKa | 1 » 0 |