Molecule ID: mol31269

SMILES: CC(C)C(O)CC1=C(O)C(=O)c2ccccc2C1=O

InChI: InChI=1S/C15H16O4/c1-8(2)12(16)7-11-13(17)9-5-3-4-6-10(9)14(18)15(11)19/h3-6,8,12,16,19H,7H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization