{"ymdb_id":"YMDB01704","created_at":"2011-08-31T03:38:01.000Z","updated_at":"2016-09-08T18:37:01.000Z","name":"Heptanal","cas":"111-71-7","state":"Liquid","melting_point":"-43.3 oC","description":"Heptanal is an alkyl aldehyde with a strong fruity odor.","experimental_water_solubility":"1.25 mg/mL at 25 oC [SUZUKI,T (1991)]","experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":"C14390","pubchem_id":"8130","cs_id":"7838","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"heptanal","traditional_iupac":"heptanal","logp":"2.0968485403333332","pka":null,"alogps_solubility":"1.34e+00 g/l","alogps_logp":"2.59","alogps_logs":"-1.93","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"5","polar_surface_area":"17.07","refractivity":"34.7492","polarizability":"14.404670604899898","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-6.944305999438767","pka_strongest_acidic":"17.785637178951518","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["1-Heptaldehyde","1-Heptanal","Enanthal","Enanthaldehyde","Enanthic aldehyde","Enanthole","Heptaldehyde","heptan-1-al","Heptanaldehyde","Heptyl aldehyde","Kohlenstoff","n-Heptaldehyde","n-Heptanal","n-Heptylaldehyde","Oenanthal","Oenanthaldehyde","Oenanthic aldehyde","Oenanthol"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}