Molecule ID: mol24632

SMILES: COC1(c2cccs2)CC2CCC1N2

InChI: InChI=1S/C11H15NOS/c1-13-11(10-3-2-6-14-10)7-8-4-5-9(11)12-8/h2-3,6,8-9,12H,4-5,7H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization