{"ymdb_id":"YMDB15965","created_at":"2016-08-03T23:49:56.000Z","updated_at":"2016-09-12T20:54:06.000Z","name":"Benzaldehyde","cas":null,"state":"Liquid","melting_point":null,"description":"Benzaldehyde belongs to the class of chemical entities known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).","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":"benzaldehyde","traditional_iupac":"benzaldehyde","logp":"1.6857481606666664","pka":null,"alogps_solubility":"5.44e+00 g/l","alogps_logp":"1.60","alogps_logs":"-1.29","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"1","polar_surface_area":"17.07","refractivity":"32.641999999999996","polarizability":"11.01681252528575","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.111326959702501","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":[]}