Molecule ID: mol7604

SMILES: Nc1nnc(-c2ccc(Cl)cc2)c(N)n1

InChI: InChI=1S/C9H8ClN5/c10-6-3-1-5(2-4-6)7-8(11)13-9(12)15-14-7/h1-4H,(H4,11,12,13,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization