Molecule ID: mol19545

SMILES: COc1cc2c(cc1O)CC[n+]1cc3c(OC)c(OC)ccc3cc1-2

InChI: InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization