{"ymdb_id":"YMDB16001","created_at":"2016-08-03T23:51:35.000Z","updated_at":"2016-09-11T18:50:55.000Z","name":"Ethyl benzoate","cas":null,"state":null,"melting_point":null,"description":"Ethyl benzoate belongs to the class of chemical entities known as benzoic acid esters. These are ester derivatives of benzoic acid.","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":"ethyl benzoate","traditional_iupac":"ethyl benzoate","logp":"2.3335307346666667","pka":null,"alogps_solubility":"8.26e-01 g/l","alogps_logp":"2.39","alogps_logs":"-2.26","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"3","polar_surface_area":"26.3","refractivity":"42.831900000000005","polarizability":"16.217343691823746","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-6.890122491013475","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"1","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":[]}