Molecule ID: mol4572
SMILES: Cc1nnc2c(c1C)CCC2
InChI: InChI=1S/C9H12N2/c1-6-7(2)10-11-9-5-3-4-8(6)9/h3-5H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.36 | IUPAC digitized pKa | 1 » 0 |
| 5.36 | Datawarrior | 1 » 0 |
| 5.36 | OCHEM | 1 » 0 |
| 5.36 | QSARToolbox | 1 » 0 |