Molecule ID: mol15039
SMILES: CC(C=C(c1cccs1)c1cccs1)N1CCCCCCC1
InChI: InChI=1S/C19H25NS2/c1-16(20-11-5-3-2-4-6-12-20)15-17(18-9-7-13-21-18)19-10-8-14-22-19/h7-10,13-16H,2-6,11-12H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.52 | QSARToolbox | 1 » 0 |
| 7.52 | Datawarrior | 1 » 0 |
| 7.52 | OCHEM | 1 » 0 |
| 7.91 | QSARToolbox | 1 » 0 |