Molecule ID: mol5979
SMILES: CCOc1ccc(N)c(N)c1
InChI: InChI=1S/C8H12N2O/c1-2-11-6-3-4-7(9)8(10)5-6/h3-5H,2,9-10H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.84 | QSARToolbox | 1 » 0 |
| 4.72 | QSARToolbox | 1 » 0 |
| 4.77 | OCHEM | 1 » 0 |
| 4.82 | IUPAC digitized pKa | 1 » 0 |
| 4.82 | QSARToolbox | 1 » 0 |