Molecule ID: mol1611
SMILES: CCCc1c(C)nc(N)nc1C
InChI: InChI=1S/C9H15N3/c1-4-5-8-6(2)11-9(10)12-7(8)3/h4-5H2,1-3H3,(H2,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.12 | OCHEM | 1 » 0 |
| 5.42 | IUPAC digitized pKa | 1 » 0 |
| 5.42 | Hunt | 1 » 0 |
| 5.42 | QSARToolbox | 1 » 0 |