Molecule ID: mol2738

SMILES: Cc1cc(C)c(C2C(=O)C3C(C2=O)[C@@]2(C)CC[C@]3(C)[S+]2[O-])c(C)c1

InChI: InChI=1S/C20H24O3S/c1-10-8-11(2)13(12(3)9-10)14-17(21)15-16(18(14)22)20(5)7-6-19(15,4)24(20)23/h8-9,14-16H,6-7H2,1-5H3/t14?,15?,16?,19-,20+,24?

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.85 Caine 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization