{"ymdb_id":"YMDB15936","created_at":"2016-08-03T23:49:16.000Z","updated_at":"2016-09-10T00:51:59.000Z","name":"2-Nitro-p-cresol","cas":null,"state":null,"melting_point":null,"description":"2-Nitro-p-cresol belongs to the family of Nitrophenols and Derivatives. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both an hydroxyl group and a nitro group on two different ring carbon atoms.","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":"4-methyl-2-nitrophenol","traditional_iupac":"2-nitro-P-cresol","logp":"2.1230860729999996","pka":null,"alogps_solubility":"2.26e+00 g/l","alogps_logp":"2.29","alogps_logs":"-1.83","acceptor_count":"3","donor_count":"1","rotatable_bond_count":"1","polar_surface_area":"66.05000000000001","refractivity":"40.404799999999994","polarizability":"14.221758011951971","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":"-6.6416532585953805","pka_strongest_acidic":"6.7953609412860425","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","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":[]}