{"ymdb_id":"YMDB16074","created_at":"2016-08-03T23:52:47.000Z","updated_at":"2016-09-12T20:56:04.000Z","name":"Phenol","cas":null,"state":"Solid","melting_point":null,"description":"Phenol belongs to the class of chemical entities known as 1-hydroxy-4-unsubstituted benzenoids. These are phenols that are unsubstituted at the 4-position.","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":"phenol","traditional_iupac":"phenol","logp":"1.6696804943333332","pka":null,"alogps_solubility":"4.66e+01 g/l","alogps_logp":"1.39","alogps_logs":"-0.31","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"0","polar_surface_area":"20.23","refractivity":"28.038899999999998","polarizability":"9.812560861971921","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-5.476712177992348","pka_strongest_acidic":"10.016150276173818","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":[]}