Molecule ID: mol20597
SMILES: c1ccc(COc2noc3c2CNCC3)cc1
InChI: InChI=1S/C13H14N2O2/c1-2-4-10(5-3-1)9-16-13-11-8-14-7-6-12(11)17-15-13/h1-5,14H,6-9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.50 | OCHEM | 1 » 0 |
| 7.50 | Baltruschat ChEMBL | 1 » 0 |
| 7.50 | QSARToolbox | 1 » 0 |