{"ymdb_id":"YMDB15940","created_at":"2016-08-03T23:49:21.000Z","updated_at":"2016-09-11T18:50:46.000Z","name":"2-Rhiopheneacetic acid","cas":null,"state":null,"melting_point":null,"description":"2-Rhiopheneacetic acid belongs to the class of chemical entities known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.","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":"2-(thiophen-2-yl)acetic acid","traditional_iupac":"thiolacetic acid","logp":"1.5238754783333333","pka":null,"alogps_solubility":"1.16e+00 g/l","alogps_logp":"1.71","alogps_logs":"-2.09","acceptor_count":"2","donor_count":"1","rotatable_bond_count":"2","polar_surface_area":"37.3","refractivity":"34.255500000000005","polarizability":"13.47581156980906","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":"-8.101509645396412","pka_strongest_acidic":"4.546468155201299","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":[]}