Molecule ID: mol24481

SMILES: CN(C)CC(=O)c1ccc2c(c1)sc1cc(C(=O)CN(C)C)ccc12

InChI: InChI=1S/C20H22N2O2S/c1-21(2)11-17(23)13-5-7-15-16-8-6-14(18(24)12-22(3)4)10-20(16)25-19(15)9-13/h5-10H,11-12H2,1-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization