Molecule ID: mol18785

SMILES: Cc1cnc(NCCc2ccc(F)cc2)c(=O)n1CC(=O)NCc1ccc2c(N)noc2c1

InChI: InChI=1S/C23H23FN6O3/c1-14-11-28-22(26-9-8-15-2-5-17(24)6-3-15)23(32)30(14)13-20(31)27-12-16-4-7-18-19(10-16)33-29-21(18)25/h2-7,10-11H,8-9,12-13H2,1H3,(H2,25,29)(H,26,28)(H,27,31)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization