Molecule ID: mol11564

SMILES: CC1(c2ccc([N+](=O)[O-])cc2)CC(=O)NC1=O

InChI: InChI=1S/C11H10N2O4/c1-11(6-9(14)12-10(11)15)7-2-4-8(5-3-7)13(16)17/h2-5H,6H2,1H3,(H,12,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization