Molecule ID: mol7263

SMILES: Nc1ncc(Oc2ccc(Cl)cc2)c(N)n1

InChI: InChI=1S/C10H9ClN4O/c11-6-1-3-7(4-2-6)16-8-5-14-10(13)15-9(8)12/h1-5H,(H4,12,13,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization