Molecule ID: mol23129

SMILES: Cc1c(C)c(C(=O)O)c([N+](=O)[O-])c([N+](=O)[O-])c1O

InChI: InChI=1S/C9H8N2O7/c1-3-4(2)8(12)7(11(17)18)6(10(15)16)5(3)9(13)14/h12H,1-2H3,(H,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization