Molecule ID: mol23867

SMILES: CNc1ccc(C(C)=O)cc1[N+](=O)[O-]

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

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-3.46 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization