Molecule ID: mol11711

SMILES: CCC1(c2ccc([N+](=O)[O-])cc2)CC(=O)NC1=O

InChI: InChI=1S/C12H12N2O4/c1-2-12(7-10(15)13-11(12)16)8-3-5-9(6-4-8)14(17)18/h3-6H,2,7H2,1H3,(H,13,15,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization