1.0 2020-04-20 20:14:53 UTC 2020-04-21 18:03:44 UTC FDB112378 Indoleacrylic acid C11H9NO2 187.198 187.063328534 (2E)-3-(1H-indol-3-yl)prop-2-enoic acid (2E)-3-(1H-indol-3-yl)prop-2-enoic acid OC(=O)\C=C\C1=CNC2=C1C=CC=C2 InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5+ PLVPPLCLBIEYEA-AATRIKPKSA-N belongs to the class of organic compounds known as indoles. Indoles are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole. Indoles Organic compounds Organoheterocyclic compounds Indoles and derivatives Indoles Aromatic heteropolycyclic compounds Azacyclic compounds Benzenoids Carbonyl compounds Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Substituted pyrroles Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxylic acid Carboxylic acid derivative Heteroaromatic compound Hydrocarbon derivative Indole Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrole Substituted pyrrole logp 2.29 ALOGPS logs -2.90 ALOGPS solubility 2.36e-01 g/l ALOGPS logp 2.23 ChemAxon pka_strongest_acidic 4.65 ChemAxon iupac (2E)-3-(1H-indol-3-yl)prop-2-enoic acid ChemAxon average_mass 187.198 ChemAxon mono_mass 187.063328534 ChemAxon smiles OC(=O)\C=C\C1=CNC2=C1C=CC=C2 ChemAxon formula C11H9NO2 ChemAxon inchi InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5+ ChemAxon inchikey PLVPPLCLBIEYEA-AATRIKPKSA-N ChemAxon polar_surface_area 53.09 ChemAxon refractivity 54.15 ChemAxon polarizability 19.34 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 805 Specdb::MsIr 806 Specdb::MsIr 807 Specdb::CMs 154434 Specdb::CMs 1073027 Specdb::CMs 1073029 Specdb::CMs 1073031 Specdb::CMs 1073032 Specdb::MsMs 2226942 Specdb::MsMs 2227790 Specdb::MsMs 2230106 Specdb::MsMs 2231799 Specdb::MsMs 2232416 Specdb::MsMs 2234124 Specdb::MsMs 2234799 Specdb::MsMs 2397561 Specdb::MsMs 2397562 Specdb::MsMs 2397563 Specdb::MsMs 2541233 Specdb::MsMs 2541234 Specdb::MsMs 2541235 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823