Molecule ID: mol31021

SMILES: Oc1c(Cl)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1Cl

InChI: InChI=1S/C29H19Cl2NO/c30-25-18-24(19-26(31)29(25)33)32-27(21-12-6-2-7-13-21)16-23(20-10-4-1-5-11-20)17-28(32)22-14-8-3-9-15-22/h1-19H/p+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.78 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization