Molecule ID: mol23828

SMILES: CC(C)c1ccc([N+](=O)[O-])cc1N

InChI: InChI=1S/C9H12N2O2/c1-6(2)8-4-3-7(11(12)13)5-9(8)10/h3-6H,10H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization