Molecule ID: mol4758

SMILES: CN1c2cncnc2N=C(O)C1O

InChI: InChI=1S/C7H8N4O2/c1-11-4-2-8-3-9-5(4)10-6(12)7(11)13/h2-3,7,13H,1H3,(H,8,9,10,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.88 IUPAC digitized pKa 1 » 0
2.91 QSARToolbox 1 » 0
9.33 AttenGpKa training set -1 » -2
9.36 IUPAC digitized pKa -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization