Molecule ID: mol4019
SMILES: CCCCc1cccnn1
InChI: InChI=1S/C8H12N2/c1-2-3-5-8-6-4-7-9-10-8/h4,6-7H,2-3,5H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.49 | IUPAC digitized pKa | 1 » 0 |
| 3.49 | Datawarrior | 1 » 0 |
| 3.49 | OCHEM | 1 » 0 |
| 3.49 | OCHEM | 1 » 0 |
| 3.49 | QSARToolbox | 1 » 0 |
| 3.49 | QSARToolbox | 1 » 0 |