Molecule ID: mol12883
SMILES: CCCCN(CCS)CCCC
InChI: InChI=1S/C10H23NS/c1-3-5-7-11(9-10-12)8-6-4-2/h12H,3-10H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.76 | Datawarrior | 1 » 0 |
| 7.76 | OCHEM | 1 » 0 |
| 7.76 | QSARToolbox | 1 » 0 |
| 11.57 | Datawarrior | 0 » -1 |
| 11.57 | OCHEM | 0 » -1 |