{"ymdb_id":"YMDB16079","created_at":"2016-08-03T23:52:53.000Z","updated_at":"2016-09-11T18:51:03.000Z","name":"Salicylaldehyde","cas":null,"state":null,"melting_point":null,"description":"Salicylaldehyde belongs to the class of chemical entities known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl group.","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":"2-hydroxybenzaldehyde","traditional_iupac":"salicylaldehyde","logp":"2.032182839","pka":null,"alogps_solubility":"1.03e+01 g/l","alogps_logp":"1.22","alogps_logs":"-1.07","acceptor_count":"2","donor_count":"1","rotatable_bond_count":"1","polar_surface_area":"37.3","refractivity":"34.6229","polarizability":"11.886411741635492","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-5.985596393103912","pka_strongest_acidic":"8.403256552441606","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":[]}