Molecule ID: mol26695

SMILES: Cc1nc2nc3ccccc3c(O)c2cc1Cl

InChI: InChI=1S/C13H9ClN2O/c1-7-10(14)6-9-12(17)8-4-2-3-5-11(8)16-13(9)15-7/h2-6H,1H3,(H,15,16,17)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-5.41 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization