Molecule ID: mol20586
SMILES: C=CCOc1noc2c1CNCC2
InChI: InChI=1S/C9H12N2O2/c1-2-5-12-9-7-6-10-4-3-8(7)13-11-9/h2,10H,1,3-6H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.50 | OCHEM | 1 » 0 |
| 7.50 | Baltruschat ChEMBL | 1 » 0 |
| 7.50 | QSARToolbox | 1 » 0 |