Molecule ID: mol1250

SMILES: C[C@@H]1CCCN([C@@H](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/t14-,15+/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.23 Hunt 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization