Molecule ID: mol14995

SMILES: CC(C)n1c(N)nc2ccc(C(=CC(N)=O)c3cccc(F)c3F)cc21

InChI: InChI=1S/C19H18F2N4O/c1-10(2)25-16-8-11(6-7-15(16)24-19(25)23)13(9-17(22)26)12-4-3-5-14(20)18(12)21/h3-10H,1-2H3,(H2,22,26)(H2,23,24)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization