Molecule ID: mol20032

SMILES: Nc1cccc(Cn2c(-c3ccc(Oc4ccccc4)cc3)ccc2-c2ccccc2Cl)n1

InChI: InChI=1S/C28H22ClN3O/c29-25-11-5-4-10-24(25)27-18-17-26(32(27)19-21-7-6-12-28(30)31-21)20-13-15-23(16-14-20)33-22-8-2-1-3-9-22/h1-18H,19H2,(H2,30,31)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization