Molecule ID: mol35774

SMILES: O=C1OC(c2c(-c3ccccc3)[nH]c3ccccc23)(c2c(-c3ccccc3)[nH]c3ccccc23)c2cccc([N+](=O)[O-])c21

InChI: InChI=1S/C36H23N3O4/c40-35-30-26(18-11-21-29(30)39(41)42)36(43-35,31-24-16-7-9-19-27(24)37-33(31)22-12-3-1-4-13-22)32-25-17-8-10-20-28(25)38-34(32)23-14-5-2-6-15-23/h1-21,37-38H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization