Molecule ID: mol5024
SMILES: Cc1cc(N)nc2ccc3ccccc3c12
InChI: InChI=1S/C14H12N2/c1-9-8-13(15)16-12-7-6-10-4-2-3-5-11(10)14(9)12/h2-8H,1H3,(H2,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.10 | QSARToolbox | 1 » 0 |
| 7.10 | IUPAC digitized pKa | 1 » 0 |
| 7.14 | QSARToolbox | 1 » 0 |
| 7.14 | OCHEM | 1 » 0 |
| 7.14 | Datawarrior | 1 » 0 |
| 7.14 | AttenGpKa training set | 1 » 0 |