Molecule ID: mol2630

SMILES: CNC1=Nc2ncccc2C(c2ccc(F)cc2)=NC1c1cccs1

InChI: InChI=1S/C19H15FN4S/c1-21-19-17(15-5-3-11-25-15)23-16(12-6-8-13(20)9-7-12)14-4-2-10-22-18(14)24-19/h2-11,17H,1H3,(H,21,22,24)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.22 Manchester 1 » 0
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Charge States and Microspecies Visualization