Molecule ID: mol2377
SMILES: CCN(CC)[C@@H](C)C=C(c1cccs1)c1cccs1
InChI: InChI=1S/C16H21NS2/c1-4-17(5-2)13(3)12-14(15-8-6-10-18-15)16-9-7-11-19-16/h6-13H,4-5H2,1-3H3/t13-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.85 | OCHEM | 1 » 0 |
| 8.85 | Hunt | 1 » 0 |