Molecule ID: mol38113

SMILES: O=P(O)(Cc1ccc2cccc(O)c2n1)OCc1ccc2cccc(O)c2n1

InChI: InChI=1S/C20H17N2O5P/c23-17-5-1-3-13-7-9-15(21-19(13)17)11-27-28(25,26)12-16-10-8-14-4-2-6-18(24)20(14)22-16/h1-10,23-24H,11-12H2,(H,25,26)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.35 QSARToolbox -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization