1.0 2010-04-08 22:05:18 UTC 2020-02-24 19:10:28 UTC FDB002256 4-Chloro-L-tryptophan Isolated from the seed protein of Pisum sativum (pea)and is also obtained from the seeds of Vicia faba. 4-Chloro-L-tryptophan is found in pulses and common pea. 4-Chloro-L-tryptophan 4-Chlorotryptophan; L-form S-4-Chlorotryptophan C11H11ClN2O2 238.67 238.050905313 2-amino-3-(4-chloro-1H-indol-3-yl)propanoic acid 2-amino-3-(4-chloro-1H-indol-3-yl)propanoic acid 52448-14-3 NC(CC1=CNC2=CC=CC(Cl)=C12)C(O)=O InChI=1S/C11H11ClN2O2/c12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16/h1-3,5,8,14H,4,13H2,(H,15,16) NRTHKYABOMUPSC-UHFFFAOYSA-N belongs to the class of organic compounds known as indolyl carboxylic acids and derivatives. Indolyl carboxylic acids and derivatives are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring. Indolyl carboxylic acids and derivatives Organic compounds Organoheterocyclic compounds Indoles and derivatives Indolyl carboxylic acids and derivatives Aromatic heteropolycyclic compounds 3-alkylindoles Alpha amino acids Amino acids Aralkylamines Aryl chlorides Azacyclic compounds Benzenoids Carbonyl compounds Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Organochlorides Organopnictogen compounds Substituted pyrroles 3-alkylindole Alpha-amino acid Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Aralkylamine Aromatic heteropolycyclic compound Aryl chloride Aryl halide Azacycle Benzenoid Carbonyl group Carboxylic acid Carboxylic acid derivative Heteroaromatic compound Hydrocarbon derivative Indole Indolyl carboxylic acid derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Pyrrole Substituted pyrrole logp -0.47 ALOGPS logs -2.59 ALOGPS solubility 6.11e-01 g/l ALOGPS logp -0.48 ChemAxon pka_strongest_acidic 2.14 ChemAxon pka_strongest_basic 9.38 ChemAxon iupac 2-amino-3-(4-chloro-1H-indol-3-yl)propanoic acid ChemAxon average_mass 238.67 ChemAxon mono_mass 238.050905313 ChemAxon smiles NC(CC1=CNC2=CC=CC(Cl)=C12)C(O)=O ChemAxon formula C11H11ClN2O2 ChemAxon inchi InChI=1S/C11H11ClN2O2/c12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16/h1-3,5,8,14H,4,13H2,(H,15,16) ChemAxon inchikey NRTHKYABOMUPSC-UHFFFAOYSA-N ChemAxon polar_surface_area 79.11 ChemAxon refractivity 61.01 ChemAxon polarizability 23.18 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 100413 Specdb::MsMs 100414 Specdb::MsMs 100415 Specdb::MsMs 165735 Specdb::MsMs 165736 Specdb::MsMs 165737 Specdb::MsMs 2473490 Specdb::MsMs 2473491 Specdb::MsMs 2473492 Specdb::MsMs 2489307 Specdb::MsMs 2489308 Specdb::MsMs 2489309 Specdb::CMs 12790 Specdb::CMs 41907 Specdb::CMs 135020 Specdb::CMs 142754 Specdb::NmrOneD 161469 Specdb::NmrOneD 161470 Specdb::NmrOneD 161471 Specdb::NmrOneD 161472 Specdb::NmrOneD 161473 Specdb::NmrOneD 161474 Specdb::NmrOneD 161475 Specdb::NmrOneD 161476 Specdb::NmrOneD 161477 Specdb::NmrOneD 161478 Specdb::NmrOneD 161479 Specdb::NmrOneD 161480 Specdb::NmrOneD 161481 Specdb::NmrOneD 161482 Specdb::NmrOneD 161483 Specdb::NmrOneD 161484 Specdb::NmrOneD 161485 Specdb::NmrOneD 161486 Specdb::NmrOneD 161487 Specdb::NmrOneD 161488 HMDB30400 #<Reference:0x000055ce325771b8> Common pea Type 1 specific Pisum sativum 3888 Pulses Unknown generic