Molecule ID: mol10262

SMILES: S=C(S)NC1CCCCC1

InChI: InChI=1S/C7H13NS2/c9-7(10)8-6-4-2-1-3-5-6/h6H,1-5H2,(H2,8,9,10)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.54 IUPAC digitized pKa 0 » -1
2.68 IUPAC digitized pKa 0 » -1
2.95 Datawarrior 0 » -1
2.95 OCHEM 0 » -1
2.95 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization