Molecule ID: mol13813

SMILES: COc1ccc(Cl)c2cccnc12

InChI: InChI=1S/C10H8ClNO/c1-13-9-5-4-8(11)7-3-2-6-12-10(7)9/h2-6H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization