{"ymdb_id":"YMDB01629","created_at":"2011-08-31T03:30:00.000Z","updated_at":"2016-09-08T18:36:55.000Z","name":"Acetophenone","cas":"98-86-2","state":"Liquid","melting_point":"20 oC","description":"Acetophenone is a compound responsible for almond aromas.","experimental_water_solubility":"6.13 mg/mL at 25 oC [SOUTHWORTH,GR \u0026 KELLER,JL (1986)]","experimental_logp_hydrophobicity":"1.58 [HANSCH,C ET AL. (1995)]","location":null,"synthesis_reference":null,"chebi_id":"27632","hmdb_id":null,"kegg_id":"C01484","pubchem_id":"7410","cs_id":"7132","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"1-phenylethan-1-one","traditional_iupac":"acetophenone","logp":"1.5308933346666667","pka":null,"alogps_solubility":"1.36e+00 g/l","alogps_logp":"1.65","alogps_logs":"-1.95","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"1","polar_surface_area":"17.07","refractivity":"36.460800000000006","polarizability":"13.05282053698111","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.3885191025078125","pka_strongest_acidic":"16.099925039370238","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["1-Phenyl-1-ethanone","1-Phenylethanone","1,3-Diphenyl-2-propen-1-one","Acetophenone","Acetylbenzene","Acetylbenzol","alpha-Acetophenone","Benzene, acetyl-","Benzoyl methide","Benzylideneacetophenone","Chalcone","Ethanone, 1-phenyl-","Hypnone","Ketone, methyl phenyl-","Methyl phenyl ketone","Phenyl methyl ketone","phenylethanone"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}