Molecule ID: mol6969
SMILES: Sc1ccc(N2CCCCC2)nn1
InChI: InChI=1S/C9H13N3S/c13-9-5-4-8(10-11-9)12-6-2-1-3-7-12/h4-5H,1-3,6-7H2,(H,11,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.06 | IUPAC digitized pKa | 1 » 0 |
| 9.31 | IUPAC digitized pKa | 0 » -1 |