Molecule ID: mol26383

SMILES: Cn1c(O)nc2ccccc21

InChI: InChI=1S/C8H8N2O/c1-10-7-5-3-2-4-6(7)9-8(10)11/h2-5H,1H3,(H,9,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization