Molecule ID: mol17572

SMILES: O=C(O)/C=C/c1ccc(Cc2c(-c3ccccc3)c(=O)oc3cc(O)ccc23)cc1

InChI: InChI=1S/C25H18O5/c26-19-11-12-20-21(14-17-8-6-16(7-9-17)10-13-23(27)28)24(18-4-2-1-3-5-18)25(29)30-22(20)15-19/h1-13,15,26H,14H2,(H,27,28)/b13-10+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.40 Baltruschat ChEMBL 0 » -1
7.70 Baltruschat ChEMBL -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization