1.0 2016-05-25 03:14:48 UTC 2026-08-19 13:58:52 UTC Flubendazole SmallMolecule Flubendazole is an organic compound with the chemical formula C16H12FN3O3 and an average molecular weight of 313.28 g/mol. Flubendazole belongs to the benzophenones, a subclass of benzene and substituted derivatives within the organic compounds. The compound is found in or released from two recorded sources: healthcare, pharmaceuticals & veterinary products (specifically anthelmintics) and food, food processing & cookware (specifically the preparation of malt). The recorded exposure route for this substance is oral. In terms of biological activity, flubendazole interacts with nine recorded protein targets. It acts as an inhibitor of the tubulin beta chain (TUBB), tubulin alpha-3D chain (TUBA3D), tubulin alpha-1B chain (TUBA1B), and tubulin alpha-4A chain (TUBA4A), as well as five other proteins. Flubendazol C16H12FN3O3 313.2832 313.08626947 N-[6-(4-fluorobenzoyl)-1H-1,3-benzodiazol-2-yl]methoxycarboximidic acid flubenol 31430-15-6 COC(O)=NC1=NC2=C(N1)C=C(C=C2)C(=O)C1=CC=C(F)C=C1 InChI=1S/C16H12FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8H,1H3,(H2,18,19,20,22) CPEUVMUXAHMANV-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Benzophenones Benzophenones Aryl fluorides Aryl-phenylketones Azacyclic compounds Benzimidazoles Benzoyl derivatives Carboximidic acids and derivatives Fluorobenzenes Heteroaromatic compounds Hydrocarbon derivatives Imidazoles Organic oxides Organofluorides Organonitrogen compounds Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Aromatic heteropolycyclic compound Aryl fluoride Aryl halide Aryl ketone Aryl-phenylketone Azacycle Azole Benzimidazole Benzophenone Benzoyl Carboximidic acid derivative Fluorobenzene Halobenzene Heteroaromatic compound Hydrocarbon derivative Imidazole Ketone Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organofluoride Organohalogen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Aromatic heteropolycyclic compounds aromatic ketone benzimidazoles carbamate ester organofluorine compound Detected and Not Quantified logp 3.4 logp 2.51 ALOGPS logs -3.97 ALOGPS solubility 3.34e-02 g/l ALOGPS logp 4.1 ChemAxon pka_strongest_acidic 7.08 ChemAxon pka_strongest_basic 1.92 ChemAxon iupac N-[6-(4-fluorobenzoyl)-1H-1,3-benzodiazol-2-yl]methoxycarboximidic acid ChemAxon average_mass 313.2832 ChemAxon mono_mass 313.08626947 ChemAxon smiles COC(O)=NC1=NC2=C(N1)C=C(C=C2)C(=O)C1=CC=C(F)C=C1 ChemAxon formula C16H12FN3O3 ChemAxon inchi InChI=1S/C16H12FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8H,1H3,(H2,18,19,20,22) ChemAxon inchikey CPEUVMUXAHMANV-UHFFFAOYSA-N ChemAxon polar_surface_area 87.57 ChemAxon refractivity 82.74 ChemAxon polarizability 31.23 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7226d3eb00> DB08974 35802 32932 BE0000143 BE0010280 BE0001275 BE0001391 BE0003397 BE0001340 BE0001388 BE0000026 BE0001359