Molecule ID: mol7229

SMILES: CCCc1c(C)nc(Cl)nc1C

InChI: InChI=1S/C9H13ClN2/c1-4-5-8-6(2)11-9(10)12-7(8)3/h4-5H2,1-3H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
-0.34 QSARToolbox 1 » 0
-0.34 IUPAC digitized pKa 1 » 0
-0.34 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization