1.0 2018-10-03 16:33:35 UTC 2020-06-04 18:57:38 UTC BMDB0063614 BMDB63614 p,p′-DDD DDD is a chlorophenylethane that is 2,2-bis(p-chlorophenyl)ethane substituted by two chloro groups at position 1. It is a metabolite of the organochlorine insecticide, DDT. It has a role as a xenobiotic metabolite. It is an organochlorine insecticide, a member of monochlorobenzenes and a chlorophenylethane. 1,1'-(2,2-Dichloroethylidene)bis[4-chlorobenzene] 1,1-Dichloro-2,2-bis(4'-chlorophenyl)ethane 1,1-Dichloro-2,2-bis(p-chlorophenyl)ethane Dichlorodiphenyldichloroethane Dilene p,P'-tde Rhothane TDE Tetrachlorodiphenylethane DDD p,P'-DDD C14H10Cl4 320.041 317.953661148 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene dichlorodiphenyldichloroethane 72-54-8 ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 InChI=1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H AHJKRLASYNVKDZ-UHFFFAOYSA-N belongs to the class of organic compounds known as diphenylmethanes. Diphenylmethanes are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. Organic compounds Benzenoids Benzene and substituted derivatives Diphenylmethanes Diphenylmethanes Alkyl chlorides Aryl chlorides Chlorobenzenes Hydrocarbon derivatives Organochlorides Alkyl chloride Alkyl halide Aromatic homomonocyclic compound Aryl chloride Aryl halide Chlorobenzene Diphenylmethane Halobenzene Hydrocarbon derivative Organochloride Organohalogen compound Aromatic homomonocyclic compounds Organochlorine pesticides chlorophenylethane monochlorobenzenes organochlorine insecticide logp 6.15 ALOGPS logs -7.48 ALOGPS logp 6.11 ChemAxon iupac 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene ChemAxon average_mass 320.041 ChemAxon mono_mass 317.953661148 ChemAxon smiles ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 ChemAxon formula C14H10Cl4 ChemAxon inchi InChI=1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H ChemAxon inchikey AHJKRLASYNVKDZ-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 79.97 ChemAxon polarizability 30.39 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::EiMs 718 Specdb::NmrOneD 2595 Specdb::NmrOneD 3298 Specdb::MsMs 97803 Specdb::MsMs 97804 Specdb::MsMs 97805 Specdb::MsMs 162588 Specdb::MsMs 162589 Specdb::MsMs 162590 Specdb::MsMs 3609571 Specdb::MsMs 3609572 Specdb::MsMs 3609573 Specdb::MsMs 3610432 Specdb::MsMs 3610433 Specdb::MsMs 3610434 Milk 0.0162 +/- 0.0203 uM Raw bovine milk from Haryana (n=147) Sharma HR, Kaushik A, Kaushik CP: Pesticide residues in bovine milk from a predominantly agricultural state of Haryana, India. Environ Monit Assess. 2007 Jun;129(1-3):349-57. doi: 10.1007/s10661-006-9368-5. Epub 2006 Dec 16. 17180431 6057 6294 C06636 27841 Dichlorodiphenyldichloroethane Sharma HR, Kaushik A, Kaushik CP: Pesticide residues in bovine milk from a predominantly agricultural state of Haryana, India. Environ Monit Assess. 2007 Jun;129(1-3):349-57. doi: 10.1007/s10661-006-9368-5. Epub 2006 Dec 16. 17180431