1.0 2010-04-08 22:10:25 UTC 2025-11-18 23:40:22 UTC FDB012897 FIC Isolated from Lactobacillus casein rhamnosus. Inhibits the growth of Penicillium spores. C9H6FNO2 179.1478 179.038256646 5-fluoro-1H-indole-2-carboxylic acid 5-fluoro-1H-indole-2-carboxylic acid OC(=O)C1=CC2=CC(F)=CC=C2N1 InChI=1S/C9H6FNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13) WTXBRZCVLDTWLP-UHFFFAOYSA-N belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. Indolecarboxylic acids and derivatives are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole. Indolecarboxylic acids and derivatives Organic compounds Organoheterocyclic compounds Indoles and derivatives Indolecarboxylic acids and derivatives Aromatic heteropolycyclic compounds Aryl fluorides Azacyclic compounds Benzenoids Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Indoles Monocarboxylic acids and derivatives Organic oxides Organofluorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Pyrrole 2-carboxylic acids Substituted pyrroles Aromatic heteropolycyclic compound Aryl fluoride Aryl halide Azacycle Benzenoid Carboxylic acid Carboxylic acid derivative Heteroaromatic compound Hydrocarbon derivative Indole Indolecarboxylic acid derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organofluoride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrole Pyrrole-2-carboxylic acid Pyrrole-2-carboxylic acid or derivatives Substituted pyrrole logp 2.19 ALOGPS logs -2.06 ALOGPS solubility 1.55e+00 g/l ALOGPS logp 1.79 ChemAxon pka_strongest_acidic 3.6 ChemAxon iupac 5-fluoro-1H-indole-2-carboxylic acid ChemAxon average_mass 179.1478 ChemAxon mono_mass 179.038256646 ChemAxon smiles OC(=O)C1=CC2=CC(F)=CC=C2N1 ChemAxon formula C9H6FNO2 ChemAxon inchi InChI=1S/C9H6FNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13) ChemAxon inchikey WTXBRZCVLDTWLP-UHFFFAOYSA-N ChemAxon polar_surface_area 53.09 ChemAxon refractivity 44.49 ChemAxon polarizability 16.3 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 44373 Specdb::MsMs 44374 Specdb::MsMs 44375 Specdb::MsMs 141453 Specdb::MsMs 141454 Specdb::MsMs 141455 Specdb::MsMs 3605419 Specdb::MsMs 3605420 Specdb::MsMs 3605421 Specdb::MsMs 3605422 Specdb::MsMs 3605423 Specdb::MsMs 3605424