Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03794"

PredicateValue (sorted: default)
rdfs:label
"Trifluoroalanine"
rdf:type
drugbank:description
" experimental This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. Alpha Amino Acids and Derivatives Organic Compounds Organic Acids and Derivatives Carboxylic Acids and Derivatives Amino Acids, Peptides, and Analogues Polyamines Carboxylic Acids Enolates Monoalkylamines Organofluorides Alkyl Fluorides polyamine enolate carboxylic acid organonitrogen compound amine primary amine organofluoride organohalogen primary aliphatic amine alkyl halide alkyl fluoride logP -1 ALOGPS logS -0.91 ALOGPS Water Solubility 1.76e+01 g/l ALOGPS logP -1.7 ChemAxon IUPAC Name (2R)-2-amino-3,3,3-trifluoropropanoic acid ChemAxon Traditional IUPAC Name trifluoroalanine ChemAxon Molecular Weight 143.0646 ChemAxon Monoisotopic Weight 143.019412992 ChemAxon SMILES N[C@H](C(O)=O)C(F)(F)F ChemAxon Molecular Formula C3H4F3NO2 ChemAxon InChI InChI=1S/C3H4F3NO2/c4-3(5,6)1(7)2(8)9/h1H,7H2,(H,8,9)/t1-/m1/s1 ChemAxon InChIKey InChIKey=HMJQKIDUCWWIBW-PVQJCKRUSA-N ChemAxon Polar Surface Area (PSA) 63.32 ChemAxon Refractivity 21.2 ChemAxon Polarizability 8.84 ChemAxon Rotatable Bond Count 2 ChemAxon H Bond Acceptor Count 3 ChemAxon H Bond Donor Count 2 ChemAxon pKa (strongest acidic) 1.02 ChemAxon pKa (strongest basic) 4.73 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 0 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon PubChem Compound 87122 PubChem Substance 46504500 PDB FLA "
owl:sameAs

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