Molecule ID: mol3584
SMILES: CC(C=C(c1cccs1)c1cccs1)N1CCCCC1C
InChI: InChI=1S/C18H23NS2/c1-14-7-3-4-10-19(14)15(2)13-16(17-8-5-11-20-17)18-9-6-12-21-18/h5-6,8-9,11-15H,3-4,7,10H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.41 | QSARToolbox | 1 » 0 |
| 7.41 | IUPAC digitized pKa | 1 » 0 |
| 7.46 | Datawarrior | 1 » 0 |
| 7.46 | OCHEM | 1 » 0 |
| 7.46 | QSARToolbox | 1 » 0 |