Molecule ID: mol3728
SMILES: CNc1ccncc1C(C)C
InChI: InChI=1S/C9H14N2/c1-7(2)8-6-11-5-4-9(8)10-3/h4-7H,1-3H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.52 | IUPAC digitized pKa | 1 » 0 |
| 9.98 | IUPAC digitized pKa | 1 » 0 |
| 9.98 | OCHEM | 1 » 0 |
| 10.42 | IUPAC digitized pKa | 1 » 0 |