Molecule ID: mol20596
SMILES: CC#CCOc1noc2c1CNCC2
InChI: InChI=1S/C10H12N2O2/c1-2-3-6-13-10-8-7-11-5-4-9(8)14-12-10/h11H,4-7H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.60 | QSARToolbox | 1 » 0 |
| 7.60 | OCHEM | 1 » 0 |
| 7.60 | Baltruschat ChEMBL | 1 » 0 |