Molecule ID: mol35153

SMILES: CCC1(C(C)c2ccccc2)C(=O)NC(=O)NC1=O

InChI: InChI=1S/C14H16N2O3/c1-3-14(9(2)10-7-5-4-6-8-10)11(17)15-13(19)16-12(14)18/h4-9H,3H2,1-2H3,(H2,15,16,17,18,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization