Molecule ID: mol36696

SMILES: COc1c(I)cc(Cl)c2cccnc12

InChI: InChI=1S/C10H7ClINO/c1-14-10-8(12)5-7(11)6-3-2-4-13-9(6)10/h2-5H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization