Molecule ID: mol29481

SMILES: CN(CC(F)(F)F)c1ccnc(C(=O)N2CCCC2C(=O)O)c1

InChI: InChI=1S/C14H16F3N3O3/c1-19(8-14(15,16)17)9-4-5-18-10(7-9)12(21)20-6-2-3-11(20)13(22)23/h4-5,7,11H,2-3,6,8H2,1H3,(H,22,23)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.77 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization