Molecule ID: SAMPL8-15

SMILES: Cc1ccccc1Nc1nc(Cl)nc2ccccc12

InChI: InChI=1S/C15H12ClN3/c1-10-6-2-4-8-12(10)17-14-11-7-3-5-9-13(11)18-15(16)19-14/h2-9H,1H3,(H,17,18,19)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.54 SAMPL8 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization