Molecule ID: mol19533

SMILES: Fc1c(NC2CC2)nc(C2CC2)nc1N1CCSCC1

InChI: InChI=1S/C14H19FN4S/c15-11-13(16-10-3-4-10)17-12(9-1-2-9)18-14(11)19-5-7-20-8-6-19/h9-10H,1-8H2,(H,16,17,18)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization