Molecule ID: mol35560

SMILES: Cc1ccc(C)c(Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c1O

InChI: InChI=1S/C14H11N3O8/c1-7-3-4-8(2)13(12(7)18)25-14-10(16(21)22)5-9(15(19)20)6-11(14)17(23)24/h3-6,18H,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization