Molecule ID: mol20595
SMILES: C=C(Br)COc1noc2c1CNCC2
InChI: InChI=1S/C9H11BrN2O2/c1-6(10)5-13-9-7-4-11-3-2-8(7)14-12-9/h11H,1-5H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.60 | QSARToolbox | 1 » 0 |
| 7.60 | OCHEM | 1 » 0 |
| 7.60 | Baltruschat ChEMBL | 1 » 0 |