Molecule ID: mol6046

SMILES: CC(C)Nc1cc(O)ccc1[N+](=O)[O-]

InChI: InChI=1S/C9H12N2O3/c1-6(2)10-8-5-7(12)3-4-9(8)11(13)14/h3-6,10,12H,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.24 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization