Molecule ID: mol25148

SMILES: Cc1ncc(CO)c(CSSCc2c(CO)cnc(C)c2O)c1O

InChI: InChI=1S/C16H20N2O4S2/c1-9-15(21)13(11(5-19)3-17-9)7-23-24-8-14-12(6-20)4-18-10(2)16(14)22/h3-4,19-22H,5-8H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization