Molecule ID: mol610

SMILES: [H]/N=c1/[nH]c(C)c(C)s1

InChI: InChI=1S/C5H8N2S/c1-3-4(2)8-5(6)7-3/h1-2H3,(H2,6,7)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.29 AttenGpKa training set 1 » 0
6.30 Hunt 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization