Molecule ID: mol546

SMILES: O=C(Nc1ccc(N2CCOCC2)c(F)c1)c1nnc(Nc2ccccc2F)o1

InChI: InChI=1S/C19H17F2N5O3/c20-13-3-1-2-4-15(13)23-19-25-24-18(29-19)17(27)22-12-5-6-16(14(21)11-12)26-7-9-28-10-8-26/h1-6,11H,7-10H2,(H,22,27)(H,23,25)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.17 Hunt 0 » -1
8.61 Hunt 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization