Molecule ID: mol17193

SMILES: Cc1ncc([N+](=O)[O-])n1CC(O)Cn1cc(C(=O)O)c(=O)c2cc(F)cc(F)c21

InChI: InChI=1S/C17H14F2N4O6/c1-8-20-4-14(23(28)29)22(8)6-10(24)5-21-7-12(17(26)27)16(25)11-2-9(18)3-13(19)15(11)21/h2-4,7,10,24H,5-6H2,1H3,(H,26,27)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization