Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB07818"

Predicate	Value (sorted: default)
rdfs:label	"(2E)-3-(2,4-DICHLOROPHENYL)-N-HYDROXYACRYLAMIDE"
rdf:type	drugbank:drugs
drugbank:description	" experimental This compound belongs to the cinnamic acid amides. These are amides of cinnamic acids. Cinnamic Acid Amides Organic Compounds Phenylpropanoids and Polyketides Cinnamic Acids and Derivatives Cinnamic Acid Amides Phenylpropenes Dichlorobenzenes Styrenes Aryl Chlorides Enones Hydroxamic Acids Enolates Polyamines Organochlorides phenylpropene 1,3-dichlorobenzene styrene chlorobenzene benzene aryl chloride aryl halide enone carboxamide group hydroxamic acid enolate polyamine carboxylic acid derivative organohalogen organonitrogen compound amine organochloride logP 2.49 ALOGPS logS -3.6 ALOGPS Water Solubility 5.33e-02 g/l ALOGPS logP 2.53 ChemAxon IUPAC Name (2E)-3-(2,4-dichlorophenyl)-N-hydroxyprop-2-enamide ChemAxon Traditional IUPAC Name (2E)-3-(2,4-dichlorophenyl)-N-hydroxyprop-2-enamide ChemAxon Molecular Weight 232.063 ChemAxon Monoisotopic Weight 230.985383887 ChemAxon SMILES ONC(=O)\C=C\C1=CC=C(Cl)C=C1Cl ChemAxon Molecular Formula C9H7Cl2NO2 ChemAxon InChI InChI=1S/C9H7Cl2NO2/c10-7-3-1-6(8(11)5-7)2-4-9(13)12-14/h1-5,14H,(H,12,13)/b4-2+ ChemAxon InChIKey InChIKey=LHTLDFWBUPYUDR-DUXPYHPUSA-N ChemAxon Polar Surface Area (PSA) 49.33 ChemAxon Refractivity 56.26 ChemAxon Polarizability 21.34 ChemAxon Rotatable Bond Count 2 ChemAxon H Bond Acceptor Count 2 ChemAxon H Bond Donor Count 2 ChemAxon pKa (strongest acidic) 9.55 ChemAxon pKa (strongest basic) -5.1 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 1 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 11708451 PubChem Substance 99444289 ChemSpider 9883173 PDB GB4 BE0004101 Botulinum neurotoxin type A Clostridium botulinum # Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/10592235 unknown Botulinum neurotoxin type A botA Clostridium botulinum UniProtKB P10845 UniProt Accession BXA1_CLOBO BE0004102 BoNT/A Clostridium botulinum # Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/10592235 unknown BoNT/A bont/a Clostridium botulinum UniProtKB Q7B8V4 UniProt Accession Q7B8V4_CLOBO "

All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt

The resource does not appear as an object

Context graph