Molecule ID: mol17046
SMILES: COc1noc2c1CNCC2
InChI: InChI=1S/C7H10N2O2/c1-10-7-5-4-8-3-2-6(5)11-9-7/h8H,2-4H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.50 | OCHEM | 1 » 0 |
| 7.50 | Baltruschat ChEMBL | 1 » 0 |
| 7.50 | QSARToolbox | 1 » 0 |
| 7.70 | Baltruschat ChEMBL | 1 » 0 |