Molecule ID: mol16173

SMILES: C[N+](C)=c1ccc2c(-c3ccccc3C(=O)O)c3ccc4cc(O)ccc4c3oc-2c1

InChI: InChI=1S/C26H19NO4/c1-27(2)16-8-11-21-23(14-16)31-25-18-12-9-17(28)13-15(18)7-10-22(25)24(21)19-5-3-4-6-20(19)26(29)30/h3-14H,1-2H3,(H,29,30)/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization