Molecule ID: mol7307

SMILES: Cc1nc(N)nc(N)c1Oc1ccccc1

InChI: InChI=1S/C11H12N4O/c1-7-9(10(12)15-11(13)14-7)16-8-5-3-2-4-6-8/h2-6H,1H3,(H4,12,13,14,15)

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 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization