Molecule ID: mol7548

SMILES: CN(C1=NCCCS1)c1ccccc1

InChI: InChI=1S/C11H14N2S/c1-13(10-6-3-2-4-7-10)11-12-8-5-9-14-11/h2-4,6-7H,5,8-9H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization