{"ymdb_id":"YMDB15956","created_at":"2016-08-03T23:49:47.000Z","updated_at":"2016-09-11T18:50:48.000Z","name":"4,7-Dimethylbenzofuran","cas":null,"state":null,"melting_point":null,"description":"4,7-Dimethylbenzofuran belongs to the class of chemical entities known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"4,7-dimethyl-1-benzofuran","traditional_iupac":"benzofuran, 4,7-dimethyl-","logp":"3.1592119953333326","pka":null,"alogps_solubility":"7.35e-02 g/l","alogps_logp":"3.56","alogps_logs":"-3.30","acceptor_count":"0","donor_count":"0","rotatable_bond_count":"0","polar_surface_area":"13.14","refractivity":"44.981500000000004","polarizability":"16.508785434602927","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-3.065932072861942","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"2","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":[],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":19845354,"citation":"Robinson AL, Ebeler SE, Heymann H, Boss PK, Solomon PS, Trengove RD. (2009). \"Interactions between wine volatile compounds and grape and wine matrix components influence aroma compound headspace partitioning.\" J Agric Food Chem. 2009 Nov 11;57(21):10313-22."}],"proteins":[]}