Molecule ID: mol31241

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

InChI: InChI=1S/C13H13NO3/c1-14(2)7-10-11(15)8-5-3-4-6-9(8)12(16)13(10)17/h3-6,17H,7H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization