Molecule ID: mol2624

SMILES: FCCNC1=Nc2ncccc2C(c2ccccc2)=NC1c1cccs1

InChI: InChI=1S/C20H17FN4S/c21-10-12-23-20-18(16-9-5-13-26-16)24-17(14-6-2-1-3-7-14)15-8-4-11-22-19(15)25-20/h1-9,11,13,18H,10,12H2,(H,22,23,25)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.10 Manchester 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization