Molecule ID: mol4774

SMILES: CN1C(=O)c2nccnc2NC1O

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

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.00 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization