Molecule ID: mol16713
SMILES: Oc1cc(C2CCNCC2)on1
InChI: InChI=1S/C8H12N2O2/c11-8-5-7(12-10-8)6-1-3-9-4-2-6/h5-6,9H,1-4H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.00 | Baltruschat ChEMBL | 1 » 0 |
| 5.30 | Baltruschat ChEMBL | 1 » 0 |
| 10.30 | Baltruschat ChEMBL | 0 » -1 |
| 10.50 | Baltruschat ChEMBL | 0 » -1 |