Molecule ID: mol17045
SMILES: Oc1noc2c1CNCC2
InChI: InChI=1S/C6H8N2O2/c9-6-4-3-7-2-1-5(4)10-8-6/h7H,1-3H2,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.30 | OCHEM | 1 » 0 |
| 4.30 | Baltruschat ChEMBL | 1 » 0 |
| 4.30 | Baltruschat ChEMBL | 1 » 0 |
| 4.30 | Baltruschat ChEMBL | 1 » 0 |
| 4.30 | QSARToolbox | 1 » 0 |
| 9.10 | Baltruschat ChEMBL | 0 » -1 |