{"ymdb_id":"YMDB01705","created_at":"2011-08-31T03:38:10.000Z","updated_at":"2016-09-08T18:37:01.000Z","name":"Heptanoic acid","cas":"111-14-8","state":"Liquid","melting_point":"-7.5 oC","description":"Heptanoic acid (enanthic acid) is an oily liquid with an unpleasant, rancid odor. It contributes to the odor of some rancid oils.","experimental_water_solubility":"2.82 mg/mL at 25 oC [YALKOWSKY,SH \u0026 DANNENFELSER,RM (1992)]","experimental_logp_hydrophobicity":"2.42 [SANGSTER (1994)]","location":null,"synthesis_reference":null,"chebi_id":"45571","hmdb_id":"HMDB00666","kegg_id":"C05799","pubchem_id":"8094","cs_id":"7803","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"heptanoic acid","traditional_iupac":"heptanoic acid","logp":"2.2554647926666664","pka":null,"alogps_solubility":"2.98e+00 g/l","alogps_logp":"2.41","alogps_logs":"-1.64","acceptor_count":"2","donor_count":"1","rotatable_bond_count":"5","polar_surface_area":"37.3","refractivity":"35.6746","polarizability":"15.331230708854507","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":null,"pka_strongest_acidic":"5.147893056329631","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["1-heptanoic acid","1-Hexanecarboxylate","1-Hexanecarboxylic acid","1-Hexanecarboxylic acid ate","Bacterio-chlorophylls","Enanthate","Enanthic acid","Enanthic anhydride","Enanthylate","Enanthylic acid","Heptanoate","HEPTANOIC ACID","Heptansaeure","Hepthlic acid","Heptoate","Heptoic acid","Heptylate","Heptylic acid","Hexacid C-7","n-Heptanoate","n-Heptanoic acid","n-Heptoate","n-Heptoic acid","n-Heptylate","n-Heptylic acid","Oenanthate","Oenanthic acid","Oenanthsaeure","Oenanthylate","Oenanthylic acid"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}