Molecule ID: mol3562
SMILES: NCCNCc1ccoc1
InChI: InChI=1S/C7H12N2O/c8-2-3-9-5-7-1-4-10-6-7/h1,4,6,9H,2-3,5,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.70 | QSARToolbox | 2 » 1 |
| 6.70 | IUPAC digitized pKa | 2 » 1 |
| 9.86 | QSARToolbox | 1 » 0 |
| 9.86 | IUPAC digitized pKa | 1 » 0 |
| 9.86 | OCHEM | 1 » 0 |