Molecule ID: mol3621
SMILES: Cc1nc(C)c(C)c(N)c1C
InChI: InChI=1S/C9H14N2/c1-5-7(3)11-8(4)6(2)9(5)10/h1-4H3,(H2,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.57 | QSARToolbox | 2 » 1 |
| 10.21 | IUPAC digitized pKa | 1 » 0 |
| 10.57 | IUPAC digitized pKa | 1 » 0 |
| 10.57 | OCHEM | 1 » 0 |
| 10.99 | IUPAC digitized pKa | 1 » 0 |