Molecule ID: mol3583
SMILES: CC(C=C(c1cccs1)c1cccs1)N1CCCCC1
InChI: InChI=1S/C17H21NS2/c1-14(18-9-3-2-4-10-18)13-15(16-7-5-11-19-16)17-8-6-12-20-17/h5-8,11-14H,2-4,9-10H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.41 | QSARToolbox | 1 » 0 |
| 8.41 | IUPAC digitized pKa | 1 » 0 |
| 8.41 | OCHEM | 1 » 0 |
| 8.46 | Datawarrior | 1 » 0 |
| 8.46 | OCHEM | 1 » 0 |
| 8.46 | QSARToolbox | 1 » 0 |