Molecule ID: mol3107
SMILES: Cc1ccc(CNCCN)cc1
InChI: InChI=1S/C10H16N2/c1-9-2-4-10(5-3-9)8-12-7-6-11/h2-5,12H,6-8,11H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.51 | IUPAC digitized pKa | 2 » 1 |
| 6.51 | Datawarrior | 2 » 1 |
| 6.51 | OCHEM | 2 » 1 |
| 6.51 | QSARToolbox | 2 » 1 |
| 6.51 | QSARToolbox | 2 » 1 |
| 9.41 | OCHEM | 1 » 0 |
| 9.41 | QSARToolbox | 1 » 0 |
| 9.41 | IUPAC digitized pKa | 1 » 0 |
| 9.41 | Datawarrior | 1 » 0 |
| 9.41 | OCHEM | 1 » 0 |