Molecule ID: mol27239

SMILES: Cc1cc([N+](=O)[O-])cc(C)c1C(N)=O

InChI: InChI=1S/C9H10N2O3/c1-5-3-7(11(13)14)4-6(2)8(5)9(10)12/h3-4H,1-2H3,(H2,10,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-2.74 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization