Molecule ID: mol3585
SMILES: CC1CCCN(C(C)C=C(c2cccs2)c2cccs2)C1
InChI: InChI=1S/C18H23NS2/c1-14-6-3-9-19(13-14)15(2)12-16(17-7-4-10-20-17)18-8-5-11-21-18/h4-5,7-8,10-12,14-15H,3,6,9,13H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.23 | QSARToolbox | 1 » 0 |
| 8.23 | IUPAC digitized pKa | 1 » 0 |
| 8.23 | OCHEM | 1 » 0 |
| 8.28 | OCHEM | 1 » 0 |
| 8.28 | QSARToolbox | 1 » 0 |
| 8.28 | Datawarrior | 1 » 0 |