Molecule ID: mol12330

SMILES: O=C1c2ccccc2C(=O)C1c1ccc(-c2ccc(C3C(=O)c4ccccc4C3=O)cc2)cc1

InChI: InChI=1S/C30H18O4/c31-27-21-5-1-2-6-22(21)28(32)25(27)19-13-9-17(10-14-19)18-11-15-20(16-12-18)26-29(33)23-7-3-4-8-24(23)30(26)34/h1-16,25-26H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.11 IUPAC digitized pKa -1 » -2
4.54 IUPAC digitized pKa -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization