Molecule ID: mol5078

SMILES: Cc1cc(Cl)c2ccc3cccnc3c2n1

InChI: InChI=1S/C13H9ClN2/c1-8-7-11(14)10-5-4-9-3-2-6-15-12(9)13(10)16-8/h2-7H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.53 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization