Molecule ID: mol3586
SMILES: CC1CCN(C(C)C=C(c2cccs2)c2cccs2)CC1
InChI: InChI=1S/C18H23NS2/c1-14-7-9-19(10-8-14)15(2)13-16(17-5-3-11-20-17)18-6-4-12-21-18/h3-6,11-15H,7-10H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.15 | IUPAC digitized pKa | 1 » 0 |
| 8.20 | OCHEM | 1 » 0 |
| 8.20 | QSARToolbox | 1 » 0 |
| 8.20 | Datawarrior | 1 » 0 |