Molecule ID: mol4047
SMILES: CCCc1cccnn1
InChI: InChI=1S/C7H10N2/c1-2-4-7-5-3-6-8-9-7/h3,5-6H,2,4H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.59 | OCHEM | 1 » 0 |
| 3.59 | QSARToolbox | 1 » 0 |
| 3.59 | QSARToolbox | 1 » 0 |
| 3.59 | IUPAC digitized pKa | 1 » 0 |
| 3.59 | Datawarrior | 1 » 0 |
| 3.59 | OCHEM | 1 » 0 |