Molecule ID: mol37064

SMILES: COc1cc(OC)c(Cl)c(Cc2cnc(N)nc2N)c1Cl

InChI: InChI=1S/C13H14Cl2N4O2/c1-20-8-4-9(21-2)11(15)7(10(8)14)3-6-5-18-13(17)19-12(6)16/h4-5H,3H2,1-2H3,(H4,16,17,18,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization