{"ymdb_id":"YMDB15966","created_at":"2016-08-03T23:49:57.000Z","updated_at":"2016-09-12T20:54:15.000Z","name":"Benzenepropanol","cas":null,"state":"Liquid","melting_point":null,"description":"Benzenepropanol belongs to the class of chemical entities known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.","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":"3-phenylpropan-1-ol","traditional_iupac":"phenylpropanol","logp":"1.9391259186666665","pka":null,"alogps_solubility":"3.97e+00 g/l","alogps_logp":"2.00","alogps_logs":"-1.54","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"3","polar_surface_area":"20.23","refractivity":"42.2299","polarizability":"15.955368389375616","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-2.37741517688636","pka_strongest_acidic":"15.963385512376863","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":[]}