Molecule ID: mol4568
SMILES: Cc1nnc2c(c1C)CCCC2
InChI: InChI=1S/C10H14N2/c1-7-8(2)11-12-10-6-4-3-5-9(7)10/h3-6H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.41 | OCHEM | 1 » 0 |
| 5.41 | QSARToolbox | 1 » 0 |
| 5.41 | IUPAC digitized pKa | 1 » 0 |
| 5.41 | Datawarrior | 1 » 0 |