Molecule ID: mol18211

SMILES: CNc1ncnc2c1nnn2Cc1ccccc1F

InChI: InChI=1S/C12H11FN6/c1-14-11-10-12(16-7-15-11)19(18-17-10)6-8-4-2-3-5-9(8)13/h2-5,7H,6H2,1H3,(H,14,15,16)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.49 OCHEM 1 » 0
2.49 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization