Molecule ID: mol2275

SMILES: CCc1cc(C(N)=S)ccn1

InChI: InChI=1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization