Molecule ID: mol1293
SMILES: c1cc(CN2CCCC2)ccn1
InChI: InChI=1S/C10H14N2/c1-2-8-12(7-1)9-10-3-5-11-6-4-10/h3-6H,1-2,7-9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.38 | IUPAC digitized pKa | 2 » 1 |
| 3.38 | QSARToolbox | 2 » 1 |
| 8.16 | QSARToolbox | 1 » 0 |
| 8.16 | IUPAC digitized pKa | 1 » 0 |
| 8.16 | OCHEM | 1 » 0 |
| 8.16 | Hunt | 1 » 0 |
| 8.16 | OCHEM | 1 » 0 |
| 8.16 | OCHEM | 1 » 0 |