Molecule ID: mol37010

SMILES: COc1cc2ccc(O)cc2[o+]c1-c1ccc(O)cc1

InChI: InChI=1S/C16H12O4/c1-19-15-8-11-4-7-13(18)9-14(11)20-16(15)10-2-5-12(17)6-3-10/h2-9H,1H3,(H-,17,18)/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization