Molecule ID: mol30124

SMILES: Nc1ccc(-c2nc3cc4nc(-c5ccc(N)cc5)n(-c5ccccc5)c4cc3n2-c2ccccc2)cc1

InChI: InChI=1S/C32H24N6/c33-23-15-11-21(12-16-23)31-35-27-19-28-30(20-29(27)37(31)25-7-3-1-4-8-25)38(26-9-5-2-6-10-26)32(36-28)22-13-17-24(34)18-14-22/h1-20H,33-34H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.61 AttenGpKa training set 2 » 1
6.02 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization