Molecule ID: mol8865
SMILES: CN(N)c1ccccc1
InChI: InChI=1S/C7H10N2/c1-9(8)7-5-3-2-4-6-7/h2-6H,8H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -4.80 | AttenGpKa training set | 2 » 1 |
| 4.98 | IUPAC digitized pKa | 1 » 0 |
| 4.98 | OCHEM | 1 » 0 |
| 4.98 | QSARToolbox | 1 » 0 |