Molecule ID: mol21117
SMILES: Oc1nsc2c1CCNCC2
InChI: InChI=1S/C7H10N2OS/c10-7-5-1-3-8-4-2-6(5)11-9-7/h8H,1-4H2,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.60 | Baltruschat ChEMBL | 2 » 1 |
| 7.30 | Baltruschat ChEMBL | 1 » 0 |
| 9.90 | Baltruschat ChEMBL | 0 » -1 |