Molecule ID: mol37071

SMILES: COc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(OC)c1O

InChI: InChI=1S/C15H12N2O9/c1-24-12-5-8(6-13(25-2)14(12)18)15(19)26-11-4-3-9(16(20)21)7-10(11)17(22)23/h3-7,18H,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization