Molecule ID: mol14151

SMILES: NC(=S)NCc1ccccc1

InChI: InChI=1S/C8H10N2S/c9-8(11)10-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization