Molecule ID: mol32360

SMILES: CC12CC(C(=O)O)OC(=O)C1CCC1(C)C2C2CCC1(O)C(=O)O2

InChI: InChI=1S/C17H22O7/c1-15-7-10(12(18)19)23-13(20)8(15)3-5-16(2)11(15)9-4-6-17(16,22)14(21)24-9/h8-11,22H,3-7H2,1-2H3,(H,18,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization