{"ymdb_id":"YMDB16076","created_at":"2016-08-03T23:52:51.000Z","updated_at":"2016-09-10T00:52:16.000Z","name":"Propylbenzene","cas":null,"state":null,"melting_point":null,"description":"Propylbenzene belongs to the family of Substituted Benzenes. These are aromatic compounds containing a benzene substituted at one or more positions.","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":"propylbenzene","traditional_iupac":"propylbenzene","logp":"3.3758045353333332","pka":null,"alogps_solubility":"3.25e-02 g/l","alogps_logp":"3.86","alogps_logs":"-3.57","acceptor_count":"0","donor_count":"0","rotatable_bond_count":"2","polar_surface_area":"0.0","refractivity":"40.3012","polarizability":"14.971669539084042","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":null,"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":[]}