Molecule ID: mol4252

SMILES: CCNC1SC(c2ccccc2)=NN1CC

InChI: InChI=1S/C12H17N3S/c1-3-13-12-15(4-2)14-11(16-12)10-8-6-5-7-9-10/h5-9,12-13H,3-4H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization