Molecule ID: mol4814

SMILES: OC1=Nc2cncnc2NC1O

InChI: InChI=1S/C6H6N4O2/c11-5-6(12)10-4-3(9-5)1-7-2-8-4/h1-2,6,12H,(H,9,11)(H,7,8,10)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.90 IUPAC digitized pKa -1 » -2
9.90 IUPAC digitized pKa -1 » -2
9.90 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization