Molecule ID: mol5984
SMILES: COc1ccc(N)c(N)c1
InChI: InChI=1S/C7H10N2O/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.92 | QSARToolbox | 1 » 0 |
| 4.76 | QSARToolbox | 1 » 0 |
| 4.80 | OCHEM | 1 » 0 |
| 4.83 | QSARToolbox | 1 » 0 |
| 4.83 | IUPAC digitized pKa | 1 » 0 |