{"ymdb_id":"YMDB01800","created_at":"2011-08-31T03:46:53.000Z","updated_at":"2016-09-08T18:37:09.000Z","name":"Undecanoic acid","cas":"112-37-8","state":"Solid","melting_point":"28.6 oC","description":"Undecanoic acid is a naturally occurring carboxylic acid.","experimental_water_solubility":"0.0522 mg/mL at 30 oC [YALKOWSKY,SH \u0026 DANNENFELSER,RM (1992)]","experimental_logp_hydrophobicity":"4.42 [SANGSTER (1993)]","location":null,"synthesis_reference":null,"chebi_id":"32368","hmdb_id":"HMDB00947","kegg_id":"C12100","pubchem_id":"8180","cs_id":"7888","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"undecanoic acid","traditional_iupac":"undecanoic acid","logp":"4.033739452666666","pka":null,"alogps_solubility":"2.28e-02 g/l","alogps_logp":"4.49","alogps_logs":"-3.91","acceptor_count":"2","donor_count":"1","rotatable_bond_count":"9","polar_surface_area":"37.3","refractivity":"54.078599999999994","polarizability":"23.726368536377556","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":null,"pka_strongest_acidic":"4.952019655228562","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"1","veber_rule":"1","mddr_like_rule":"0","synonyms":["1-Decanecarboxylate","1-Decanecarboxylic acid","CH3-[CH2]9-COOH","Cyclohexaneundecanoic acid","Hendecanoate","Hendecanoic acid","n-Undecanoate","n-Undecanoic acid","n-Undecoate","n-Undecoic acid","n-Undecylate","n-Undecylic acid","omega-Cyclohexylundecanoic acid","UDA","Undecanoate","undecoic acid","Undecylate","Undecylic acid","Undekansaeure"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}