Molecule ID: mol7955

SMILES: CN=c1sc2c(n1C)CCCC2

InChI: InChI=1S/C9H14N2S/c1-10-9-11(2)7-5-3-4-6-8(7)12-9/h3-6H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
10.00 IUPAC digitized pKa 1 » 0
10.00 Datawarrior 1 » 0
10.00 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization