Molecule ID: mol3780
SMILES: c1ccc(C2CCCCN2)nc1
InChI: InChI=1S/C10H14N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1,3,5,7,10,12H,2,4,6,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.20 | OCHEM | 2 » 1 |
| 2.00 | QSARToolbox | 2 » 1 |
| 9.10 | IUPAC digitized pKa | 1 » 0 |
| 9.10 | QSARToolbox | 1 » 0 |