PEBULATE

/static/temp/default.svg Search structure
UNII T1ECE7S074
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 SGEJQUSYQTVSIU-UHFFFAOYSA-N
Smiles CCCCN(CC)C(=O)SCCC
InChI
InChI=1S/C10H21NOS/c1-4-7-8-11(6-3)10(12)13-9-5-2/h4-9H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H21NOS
Molecular Weight 203.34
AlogP 3.33
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 7.0
Polar Surface Area 45.61
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 13.0
Assay Description Organism Bioactivity Reference
Pre-emergence herbicidal activity against Eleusine indica in tomato field assessed as total fruit weight at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting (Rvb = 13.7 t/ha) Eleusine indica 15.3 tons/ha
Pre-emergence herbicidal activity against Digitaria spp. in tomato field assessed as total fruit weight at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting (Rvb = 13.7 t/ha) Digitaria 15.3 tons/ha
Pre-emergence herbicidal activity against Echinochloa colona in tomato field assessed as total fruit weight at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting (Rvb = 13.7 t/ha) Echinochloa colona 15.3 tons/ha
Pre-emergence herbicidal activity against Amaranthus dubius in tomato field assessed as total fruit weight at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting (Rvb = 13.7 t/ha) Amaranthus 15.3 tons/ha
Pre-emergence herbicidal activity against Boerhavia erecta in tomato field assessed as total fruit weight at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting (Rvb = 13.7 t/ha) Boerhavia erecta 15.3 tons/ha
Pre-emergence herbicidal activity against Cleome viscosa in tomato field assessed as total fruit weight at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting (Rvb = 13.7 t/ha) Cleome viscosa 15.3 tons/ha
Pre-emergence herbicidal activity against Portulaca oleracea in tomato field assessed as total fruit weight at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting (Rvb = 13.7 t/ha) Portulaca oleracea 15.3 tons/ha
Pre-emergence herbicidal activity against Trianthema spp. in tomato field assessed as total fruit weight at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting (Rvb = 13.7 t/ha) Trianthema 15.3 tons/ha
Pre-emergence herbicidal activity against Eleusine indica in tomato field assessed as extra-large fruit weight at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting (Rvb = 7.3 t/ha) Eleusine indica 8.4 tons/ha
Pre-emergence herbicidal activity against Digitaria spp. in tomato field assessed as extra-large fruit weight at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting (Rvb = 7.3 t/ha) Digitaria 8.4 tons/ha
Pre-emergence herbicidal activity against Echinochloa colona in tomato field assessed as extra-large fruit weight at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting (Rvb = 7.3 t/ha) Echinochloa colona 8.4 tons/ha
Pre-emergence herbicidal activity against Amaranthus dubius in tomato field assessed as extra-large fruit weight at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting (Rvb = 7.3 t/ha) Amaranthus 8.4 tons/ha
Pre-emergence herbicidal activity against Boerhavia erecta in tomato field assessed as extra-large fruit weight at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting (Rvb = 7.3 t/ha) Boerhavia erecta 8.4 tons/ha
Pre-emergence herbicidal activity against Cleome viscosa in tomato field assessed as extra-large fruit weight at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting (Rvb = 7.3 t/ha) Cleome viscosa 8.4 tons/ha
Pre-emergence herbicidal activity against Portulaca oleracea in tomato field assessed as extra-large fruit weight at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting (Rvb = 7.3 t/ha) Portulaca oleracea 8.4 tons/ha
Pre-emergence herbicidal activity against Trianthema spp. in tomato field assessed as extra-large fruit weight at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting (Rvb = 7.3 t/ha) Trianthema 8.4 tons/ha
Pre-emergence herbicidal activity against Eleusine indica in tomato field assessed as total number of fruits at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting (Rvb = 49.5 x 10 '3 ha) Eleusine indica 55.0 tons/ha
Pre-emergence herbicidal activity against Digitaria spp. in tomato field assessed as total number of fruits at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting (Rvb = 49.5 x 10 '3 ha) Digitaria 55.0 tons/ha
Pre-emergence herbicidal activity against Echinochloa colona in tomato field assessed as total number of fruits at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting (Rvb = 49.5 x 10 '3 ha) Echinochloa colona 55.0 tons/ha
Pre-emergence herbicidal activity against Amaranthus dubius in tomato field assessed as total number of fruits at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting (Rvb = 49.5 x 10 '3 ha) Amaranthus 55.0 tons/ha
Pre-emergence herbicidal activity against Boerhavia erecta in tomato field assessed as total number of fruits at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting (Rvb = 49.5 x 10 '3 ha) Boerhavia erecta 55.0 tons/ha
Pre-emergence herbicidal activity against Cleome viscosa in tomato field assessed as total number of fruits at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting (Rvb = 49.5 x 10 '3 ha) Cleome viscosa 55.0 tons/ha
Pre-emergence herbicidal activity against Portulaca oleracea in tomato field assessed as total number of fruits at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting (Rvb = 49.5 x 10 '3 ha) Portulaca oleracea 55.0 tons/ha
Pre-emergence herbicidal activity against Trianthema spp. in tomato field assessed as total number of fruits at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting (Rvb = 49.5 x 10 '3 ha) Trianthema 55.0 tons/ha
Pre-emergence herbicidal activity against Eleusine indica in tomato field assessed as number of extra-large fruits at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting (Rvb = 21.3 x 10 '3 ha) Eleusine indica 24.5 tons/ha
Pre-emergence herbicidal activity against Digitaria spp. in tomato field assessed as number of extra-large fruits at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting (Rvb = 21.3 x 10 '3 ha) Digitaria 24.5 tons/ha
Pre-emergence herbicidal activity against Echinochloa colona in tomato field assessed as number of extra-large fruits at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting (Rvb = 21.3 x 10 '3 ha) Echinochloa colona 24.5 tons/ha
Pre-emergence herbicidal activity against Amaranthus dubius in tomato field assessed as number of extra-large fruits at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting (Rvb = 21.3 x 10 '3 ha) Amaranthus 24.5 tons/ha
Pre-emergence herbicidal activity against Boerhavia erecta in tomato field assessed as number of extra-large fruits at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting (Rvb = 21.3 x 10 '3 ha) Boerhavia erecta 24.5 tons/ha
Pre-emergence herbicidal activity against Cleome viscosa in tomato field assessed as number of extra-large fruits at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting (Rvb = 21.3 x 10 '3 ha) Cleome viscosa 24.5 tons/ha
Pre-emergence herbicidal activity against Portulaca oleracea in tomato field assessed as number of extra-large fruits at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting (Rvb = 21.3 x 10 '3 ha) Portulaca oleracea 24.5 tons/ha
Pre-emergence herbicidal activity against Trianthema spp. in tomato field assessed as number of extra-large fruits at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting (Rvb = 21.3 x 10 '3 ha) Trianthema 24.5 tons/ha
Pre-emergence herbicidal activity against Eleusine indica in tomato field assessed as number of weeds at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting measured 12 weeks after treatment (Rvb = 9 plants/m2) Eleusine indica 8.0 /m2
Pre-emergence herbicidal activity against Digitaria spp. in tomato field assessed as number of weeds at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting measured 12 weeks after treatment (Rvb = 9 plants/m2) Digitaria 8.0 /m2
Pre-emergence herbicidal activity against Echinochloa colona in tomato field assessed as number of weeds at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting measured 12 weeks after treatment (Rvb = 9 plants/m2) Echinochloa colona 8.0 /m2
Pre-emergence herbicidal activity against Amaranthus dubius in tomato field assessed as number of weeds at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting measured 12 weeks after treatment (Rvb = 9 plants/m2) Amaranthus 8.0 /m2
Pre-emergence herbicidal activity against Boerhavia erecta in tomato field assessed as number of weeds at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting measured 12 weeks after treatment (Rvb = 9 plants/m2) Boerhavia erecta 8.0 /m2
Pre-emergence herbicidal activity against Cleome viscosa in tomato field assessed as number of weeds at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting measured 12 weeks after treatment (Rvb = 9 plants/m2) Cleome viscosa 8.0 /m2
Pre-emergence herbicidal activity against Portulaca oleracea in tomato field assessed as number of weeds at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting measured 12 weeks after treatment (Rvb = 9 plants/m2) Portulaca oleracea 8.0 /m2
Pre-emergence herbicidal activity against Trianthema spp. in tomato field assessed as number of weeds at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting measured 12 weeks after treatment (Rvb = 9 plants/m2) Trianthema 8.0 /m2
Pre-emergence herbicidal activity against Cyperus in tomato field assessed as number of weeds at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting measured 12 weeks after treatment (Rvb = 5 plants/m2) Cyperus 6.0 /m2
Pre-emergence herbicidal activity against Poaceae (grass family) in tomato field assessed as number of weeds at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting measured 12 weeks after treatment (Rvb = 8 plants/m2) Poaceae 5.0 /m2
Pre-emergence herbicidal activity against Eleusine indica in tomato field assessed as number of weeds at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting measured 7 weeks after treatment (Rvb = 9 plants/m2) Eleusine indica 14.0 /m2
Pre-emergence herbicidal activity against Digitaria spp. in tomato field assessed as number of weeds at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting measured 7 weeks after treatment (Rvb = 9 plants/m2) Digitaria 14.0 /m2
Pre-emergence herbicidal activity against Echinochloa colona in tomato field assessed as number of weeds at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting measured 7 weeks after treatment (Rvb = 9 plants/m2) Echinochloa colona 14.0 /m2
Pre-emergence herbicidal activity against Amaranthus dubius in tomato field assessed as number of weeds at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting measured 7 weeks after treatment (Rvb = 9 plants/m2) Amaranthus 14.0 /m2
Pre-emergence herbicidal activity against Boerhavia erecta in tomato field assessed as number of weeds at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting measured 7 weeks after treatment (Rvb = 9 plants/m2) Boerhavia erecta 14.0 /m2
Pre-emergence herbicidal activity against Cleome viscosa in tomato field assessed as number of weeds at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting measured 7 weeks after treatment (Rvb = 9 plants/m2) Cleome viscosa 14.0 /m2
Pre-emergence herbicidal activity against Portulaca oleracea in tomato field assessed as number of weeds at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting measured 7 weeks after treatment (Rvb = 9 plants/m2) Portulaca oleracea 14.0 /m2
Pre-emergence herbicidal activity against Trianthema spp. in tomato field assessed as number of weeds at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting measured 7 weeks after treatment (Rvb = 9 plants/m2) Trianthema 14.0 /m2
Pre-emergence herbicidal activity against Cyperus in tomato field assessed as number of weeds at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting measured 7 weeks after treatment (Rvb = 3 plants/m2) Cyperus 4.0 /m2
Pre-emergence herbicidal activity against Poaceae (grass family) in tomato field assessed as number of weeds at 4.56 kg/ha applied through drip lines/backpack-spray on week 3 to 4 before transplanting measured 7 weeks after treatment (Rvb = 6 plants/m2) Poaceae 4.0 /m2
Binding affinity to SafBP receptor in Zea mays (maize) seedlings by [3H]Saf(R-29148) binding assay Zea mays 229086765.28 nM

Cross References

Resources Reference
ChEMBL CHEMBL2251585
FDA SRS T1ECE7S074
PubChem 14215
SureChEMBL SCHEMBL63581
CONTENTS