Molecule ID: mol7775
SMILES: Sc1cccc2c1NCCC2
InChI: InChI=1S/C9H11NS/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1,3,5,10-11H,2,4,6H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.38 | IUPAC digitized pKa | 1 » 0 |
| 3.38 | IUPAC digitized pKa | 1 » 0 |
| 6.63 | IUPAC digitized pKa | 0 » -1 |
| 6.63 | IUPAC digitized pKa | 0 » -1 |