Molecule ID: mol13998
SMILES: Oc1onc2c1CCNCC2
InChI: InChI=1S/C7H10N2O2/c10-7-5-1-3-8-4-2-6(5)9-11-7/h8,10H,1-4H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.30 | Datawarrior | 1 » 0 |
| 3.30 | OCHEM | 1 » 0 |
| 3.30 | Baltruschat ChEMBL | 1 » 0 |
| 9.60 | Datawarrior | 0 » -1 |
| 9.60 | OCHEM | 0 » -1 |