Molecule ID: mol5023
SMILES: Nc1cccc2ccc3ncccc3c12
InChI: InChI=1S/C13H10N2/c14-11-5-1-3-9-6-7-12-10(13(9)11)4-2-8-15-12/h1-8H,14H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.99 | QSARToolbox | 1 » 0 |
| 4.99 | IUPAC digitized pKa | 1 » 0 |
| 5.03 | Datawarrior | 1 » 0 |
| 5.03 | AttenGpKa training set | 1 » 0 |
| 5.03 | OCHEM | 1 » 0 |
| 5.03 | QSARToolbox | 1 » 0 |