Molecule ID: mol8372
SMILES: Cc1cccc2c(N)c3ccccc3nc12
InChI: InChI=1S/C14H12N2/c1-9-5-4-7-11-13(15)10-6-2-3-8-12(10)16-14(9)11/h2-8H,1H3,(H2,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.24 | QSARToolbox | 2 » 1 |
| 10.20 | AttenGpKa training set | 1 » 0 |
| 10.24 | IUPAC digitized pKa | 1 » 0 |
| 10.24 | OCHEM | 1 » 0 |