Molecule ID: mol14509

SMILES: Nc1ncnc2c1nnn2Cc1ccco1

InChI: InChI=1S/C9H8N6O/c10-8-7-9(12-5-11-8)15(14-13-7)4-6-2-1-3-16-6/h1-3,5H,4H2,(H2,10,11,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.60 OCHEM 1 » 0
2.60 QSARToolbox 1 » 0
2.60 Datawarrior 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization