Molecule ID: mol7603

SMILES: Nc1nnc(Cc2ccc(Cl)cc2)c(N)n1

InChI: InChI=1S/C10H10ClN5/c11-7-3-1-6(2-4-7)5-8-9(12)14-10(13)16-15-8/h1-4H,5H2,(H4,12,13,14,16)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.47 QSARToolbox 1 » 0
6.47 IUPAC digitized pKa 1 » 0
6.47 OCHEM 1 » 0
6.47 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization