Molecule ID: mol22623

SMILES: CC1(C)S[C@H](C(=O)O)[C@@H](C(=O)O)S1

InChI: InChI=1S/C7H10O4S2/c1-7(2)12-3(5(8)9)4(13-7)6(10)11/h3-4H,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.10 AttenGpKa training set -1 » -2
4.20 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization