Molecule ID: mol4567
SMILES: c1cc2c(nn1)CCCC2
InChI: InChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-6-9-10-8/h5-6H,1-4H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.30 | IUPAC digitized pKa | 1 » 0 |
| 4.30 | Datawarrior | 1 » 0 |
| 4.30 | QSARToolbox | 1 » 0 |
| 4.30 | OCHEM | 1 » 0 |