Molecule ID: mol15413

SMILES: C/C(=C\c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O

InChI: InChI=1S/C18H26O3/c1-11(16(20)21)8-12-9-13(17(2,3)4)15(19)14(10-12)18(5,6)7/h8-10,19H,1-7H3,(H,20,21)/b11-8+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
11.50 Datawarrior -1 » -2
11.50 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization