Molecule ID: mol1549

SMILES: CN(C)Cc1ccc([N+](=O)[O-])cc1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization