Molecule ID: mol7931

SMILES: CC(=O)Cc1nc2ccccc2n(C)c1=O

InChI: InChI=1S/C12H12N2O2/c1-8(15)7-10-12(16)14(2)11-6-4-3-5-9(11)13-10/h3-6H,7H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.88 IUPAC digitized pKa 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization