Synonyms
DDT
UNII CIW5S16655
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key YVGGHNCTFXOJCH-UHFFFAOYSA-N
Smiles Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl
InChI
InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H9Cl5
Molecular Weight 354.49
AlogP 6.33
Hydrogen Bond Acceptor 0.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 0.0
Molecular species None
Aromatic Rings 2.0
Heavy Atoms 19.0
Assay Description Organism Bioactivity Reference
Root bioconcentration factor assessed as compound concentration in tomato plant dry mass to compound concentration in soil dry mass after 60 to 151 days post germination None None
Root bioconcentration factor assessed as compound concentration in tomato plant dry mass to compound concentration in soil dry mass after 16 to 59 days post germination None None
Root bioconcentration factor assessed as compound concentration in tomato plant dry mass to compound concentration in soil dry mass after 1 to 15 days post germination None 2.6
Drug uptake in Solanum lycopersicum (tomato) fruit peel after 60 to 151 days post germination by GC-ECD analysis Solanum lycopersicum 8.8 ng/g
Drug uptake in Solanum lycopersicum (tomato) fruit flesh after 60 to 151 days post germination by GC-ECD analysis Solanum lycopersicum 29.2 ng/g
Octanol-water partition coefficient, log KOW of the compound None 6.0
Drug uptake in Solanum lycopersicum (tomato) root after 60 to 151 days post germination by GC-ECD analysis Solanum lycopersicum 7.3 ng/g
Drug uptake in Solanum lycopersicum (tomato) stem after 60 to 151 days post germination by GC-ECD analysis Solanum lycopersicum 6.8 ng/g
Drug uptake in Solanum lycopersicum (tomato) root after 16 to 59 days post germination by GC-ECD analysis Solanum lycopersicum 2.5 ng/g
Drug uptake in Solanum lycopersicum (tomato) leaves after 60 to 151 days post germination by GC-ECD analysis Solanum lycopersicum 2.3 ng/g
Drug uptake in Solanum lycopersicum (tomato) stem after 16 to 59 days post germination by GC-ECD analysis Solanum lycopersicum 10.5 ng/g
Drug uptake in Solanum lycopersicum (tomato) root after 1 to 15 days post germination by GC-ECD analysis Solanum lycopersicum 19.2 ng/g
Drug uptake in Solanum lycopersicum (tomato) leaves after 16 to 59 days post germination by GC-ECD analysis Solanum lycopersicum 8.24 ng/g
Drug uptake in Solanum lycopersicum (tomato) stem after 1 to 15 days post germination by GC-ECD analysis Solanum lycopersicum 9.4 ng/g
Drug uptake in Solanum lycopersicum (tomato) leaves after 1 to 15 days post germination by GC-ECD analysis Solanum lycopersicum 8.9 ng/g
Resistance factor, ratio of LD50 for fourth-instar larval stage of Helicoverpa armigera field strain Gaschiga isolated from tomato plant to LD50 for fourth-instar larval stage of pyrethroid-susceptible Helicoverpa armigera laboratory strain BK-77 Helicoverpa armigera 1.4
Resistance factor, ratio of LD50 for fourth-instar larval stage of Helicoverpa armigera field strain Ngong to LD50 for fourth-instar larval stage of pyrethroid-susceptible Helicoverpa armigera laboratory strain BK-77 Helicoverpa armigera 1.4
Resistance factor, ratio of LD50 for fourth-instar larval stage of Helicoverpa armigera field strain Pitoa isolated from tomato plant to LD50 for fourth-instar larval stage of pyrethroid-susceptible Helicoverpa armigera laboratory strain BK-77 Helicoverpa armigera 1.3
Resistance factor, ratio of LD50 for fourth-instar larval stage of Helicoverpa armigera field strain Tchollire to LD50 for fourth-instar larval stage of pyrethroid-susceptible Helicoverpa armigera laboratory strain BK-77 Helicoverpa armigera 1.0
Resistance factor, ratio of LD50 for fourth-instar larval stage of Helicoverpa armigera field strain Pitoa isolated from maize plant to LD50 for fourth-instar larval stage of pyrethroid-susceptible Helicoverpa armigera laboratory strain BK-77 Helicoverpa armigera 1.9
Resistance factor, ratio of LD50 for fourth-instar larval stage of pyrethroid-resistance Helicoverpa armigera laboratory strain GS-RR06 to LD50 for fourth-instar larval stage of pyrethroid-susceptible Helicoverpa armigera laboratory strain BK-77 Helicoverpa armigera 1.0
Insecticidal activity against fourth-instar larval stage of Helicoverpa armigera field strain Gaschiga isolated from tomato plant assessed as mortality applied topically onto thorax measured after 48 hr Helicoverpa armigera 37.4 microgAi/g
Insecticidal activity against fourth-instar larval stage of Helicoverpa armigera field strain Ngong isolated from cotton plant assessed as mortality applied topically onto thorax measured after 48 hr Helicoverpa armigera 36.8 microgAi/g
Insecticidal activity against fourth-instar larval stage of Helicoverpa armigera field strain Pitoa isolated from tomato plant assessed as mortality applied topically onto thorax measured after 48 hr Helicoverpa armigera 34.8 microgAi/g
Insecticidal activity against fourth-instar larval stage of Helicoverpa armigera field strain Pitoa isolated from maize plant assessed as mortality applied topically onto thorax measured after 48 hr Helicoverpa armigera 48.9 microgAi/g
Insecticidal activity against fourth-instar larval stage of Helicoverpa armigera field strain Tchollire isolated from cotton plant assessed as mortality applied topically onto thorax measured after 48 hr Helicoverpa armigera 26.7 microgAi/g
Insecticidal activity against fourth-instar larval stage of pyrethroid-resistance Helicoverpa armigera laboratory strain GS-RR06 assessed as mortality applied topically onto thorax measured after 48 hr Helicoverpa armigera 26.1 microgAi/g
Insecticidal activity against fourth-instar larval stage of pyrethroid-susceptible Helicoverpa armigera laboratory strain BK-77 assessed as mortality applied topically onto thorax measured after 48 hr Helicoverpa armigera 24.3 microgAi/g
Resistant factor, ratio of LC50 for Aphis gossypii clone Burk (cotton aphid) to Aphis gossypii clone NM1 Aphis gossypii 148.7
Resistant factor, ratio of LC50 for Aphis gossypii clone Auber (cotton aphid) to Aphis gossypii clone NM1 Aphis gossypii 1.4
Insecticidal activity against Aphis gossypii clone Burk (cotton aphid) in cotton plant leaf assessed as mortality after 24 hr by leaf disk assay Aphis gossypii 30738.4 ugAi/ml
Insecticidal activity against Aphis gossypii clone Auber (cotton aphid) in egg plant leaf assessed as mortality after 24 hr by leaf disk assay Aphis gossypii 291.6 ugAi/ml
Insecticidal activity against Aphis gossypii clone NM1 (cotton aphid) in zucchini or squash leaf assessed as mortality after 24 hr by leaf disk assay Aphis gossypii 206.7 ugAi/ml

Cross References

Resources Reference
ChEMBL CHEMBL416898
FDA SRS CIW5S16655
SureChEMBL SCHEMBL7181
ZINC ZINC01530011