Molecule ID: mol13035

SMILES: CS[C@H]1CCC[C@@H]1N(C)C

InChI: InChI=1S/C8H17NS/c1-9(2)7-5-4-6-8(7)10-3/h7-8H,4-6H2,1-3H3/t7-,8-/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.85 Datawarrior 1 » 0
8.85 QSARToolbox 1 » 0
8.85 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization