Molecule ID: mol6878

SMILES: CC1=NN(c2ccccc2)C(=O)C1(C)C

InChI: InChI=1S/C12H14N2O/c1-9-12(2,3)11(15)14(13-9)10-7-5-4-6-8-10/h4-8H,1-3H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-4.02 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization