Molecule ID: mol3612
SMILES: CC(C)c1cnccc1N
InChI: InChI=1S/C8H12N2/c1-6(2)7-5-10-4-3-8(7)9/h3-6H,1-2H3,(H2,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.13 | IUPAC digitized pKa | 1 » 0 |
| 9.54 | OCHEM | 1 » 0 |
| 9.54 | OCHEM | 1 » 0 |
| 9.59 | IUPAC digitized pKa | 1 » 0 |
| 9.59 | OCHEM | 1 » 0 |
| 9.59 | QSARToolbox | 1 » 0 |
| 9.98 | IUPAC digitized pKa | 1 » 0 |