Molecule ID: mol4046
SMILES: CCCCCc1cccnn1
InChI: InChI=1S/C9H14N2/c1-2-3-4-6-9-7-5-8-10-11-9/h5,7-8H,2-4,6H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.70 | IUPAC digitized pKa | 1 » 0 |
| 3.70 | Datawarrior | 1 » 0 |
| 3.70 | OCHEM | 1 » 0 |
| 3.70 | OCHEM | 1 » 0 |
| 3.70 | QSARToolbox | 1 » 0 |
| 3.70 | QSARToolbox | 1 » 0 |