Molecule ID: mol15435
SMILES: CC(C=C(c1cccs1)c1cccs1)N1CCCCCC1
InChI: InChI=1S/C18H23NS2/c1-15(19-10-4-2-3-5-11-19)14-16(17-8-6-12-20-17)18-9-7-13-21-18/h6-9,12-15H,2-5,10-11H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.96 | Datawarrior | 1 » 0 |
| 7.96 | OCHEM | 1 » 0 |
| 7.96 | QSARToolbox | 1 » 0 |