PROSULFOCARB

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UNII 8VCE6FU50D
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 NQLVQOSNDJXLKG-UHFFFAOYSA-N
Smiles CCCN(CCC)C(=O)SCc1ccccc1
InChI
InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H21NOS
Molecular Weight 251.39
AlogP 4.11
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 1.0
Heavy Atoms 17.0
Assay Description Organism Bioactivity Reference
Herbicidal activity against Lolium rigidum accession A15 assessed as fresh weight reduction applied at 1 times pre-emergence recommended rate relative to untreated control Lolium rigidum 100.0 %
Herbicidal activity against Lolium rigidum accession A14 assessed as fresh weight reduction applied at 1 times pre-emergence recommended rate relative to untreated control Lolium rigidum 100.0 %
Herbicidal activity against Lolium rigidum accession A13 assessed as fresh weight reduction applied at 1 times pre-emergence recommended rate relative to untreated control Lolium rigidum 100.0 %
Herbicidal activity against Lolium rigidum accession A12 assessed as fresh weight reduction applied at 1 times pre-emergence recommended rate relative to untreated control Lolium rigidum 100.0 %
Herbicidal activity against Lolium rigidum accession A11 assessed as fresh weight reduction applied at 1 times pre-emergence recommended rate relative to untreated control Lolium rigidum 99.0 %
Herbicidal activity against Lolium rigidum accession A10 assessed as fresh weight reduction applied at 1 times pre-emergence recommended rate relative to untreated control Lolium rigidum 100.0 %
Herbicidal activity against Lolium rigidum accession A09 assessed as fresh weight reduction applied at 1 times pre-emergence recommended rate relative to untreated control Lolium rigidum 100.0 %
Herbicidal activity against Lolium rigidum accession A08 assessed as fresh weight reduction applied at 1 times pre-emergence recommended rate relative to untreated control Lolium rigidum 100.0 %
Herbicidal activity against Lolium rigidum accession A07 assessed as fresh weight reduction applied at 1 times pre-emergence recommended rate relative to untreated control Lolium rigidum 100.0 %
Herbicidal activity against Lolium rigidum accession A06 assessed as fresh weight reduction applied at 1 times pre-emergence recommended rate relative to untreated control Lolium rigidum 100.0 %
Herbicidal activity against Lolium rigidum accession A05 assessed as fresh weight reduction applied at 1 times pre-emergence recommended rate relative to untreated control Lolium rigidum 100.0 %
Herbicidal activity against Lolium rigidum accession A04 assessed as fresh weight reduction applied at 1 times pre-emergence recommended rate relative to untreated control Lolium rigidum 98.0 %
Herbicidal activity against Lolium rigidum accession A03 assessed as fresh weight reduction applied at 1 times pre-emergence recommended rate relative to untreated control Lolium rigidum 100.0 %
Herbicidal activity against Lolium rigidum accession A02 assessed as fresh weight reduction applied at 1 times pre-emergence recommended rate relative to untreated control Lolium rigidum 100.0 %
Herbicidal activity against Lolium rigidum accession A01 assessed as fresh weight reduction applied at 1 times pre-emergence recommended rate relative to untreated control Lolium rigidum 100.0 %
Herbicidal activity against Lolium rigidum accession A15 assessed as emergence rate applied at 1 times pre-emergence recommended rate relative to untreated control Lolium rigidum 0.0 %
Herbicidal activity against Lolium rigidum accession A14 assessed as emergence rate applied at 1 times pre-emergence recommended rate relative to untreated control Lolium rigidum 0.0 %
Herbicidal activity against Lolium rigidum accession A13 assessed as emergence rate applied at 1 times pre-emergence recommended rate relative to untreated control Lolium rigidum 0.0 %
Herbicidal activity against Lolium rigidum accession A12 assessed as emergence rate applied at 1 times pre-emergence recommended rate relative to untreated control Lolium rigidum 0.0 %
Herbicidal activity against Lolium rigidum accession A11 assessed as emergence rate applied at 1 times pre-emergence recommended rate relative to untreated control Lolium rigidum 1.0 %
Herbicidal activity against Lolium rigidum accession A10 assessed as emergence rate applied at 1 times pre-emergence recommended rate relative to untreated control Lolium rigidum 0.0 %
Herbicidal activity against Lolium rigidum accession A09 assessed as emergence rate applied at 1 times pre-emergence recommended rate relative to untreated control Lolium rigidum 0.0 %
Herbicidal activity against Lolium rigidum accession A08 assessed as emergence rate applied at 1 times pre-emergence recommended rate relative to untreated control Lolium rigidum 0.0 %
Herbicidal activity against Lolium rigidum accession A07 assessed as emergence rate applied at 1 times pre-emergence recommended rate relative to untreated control Lolium rigidum 0.0 %
Herbicidal activity against Lolium rigidum accession A06 assessed as emergence rate applied at 1 times pre-emergence recommended rate relative to untreated control Lolium rigidum 0.0 %
Herbicidal activity against Lolium rigidum accession A05 assessed as emergence rate applied at 1 times pre-emergence recommended rate relative to untreated control Lolium rigidum 0.0 %
Herbicidal activity against Lolium rigidum accession A04 assessed as emergence rate applied at 1 times pre-emergence recommended rate relative to untreated control Lolium rigidum 1.0 %
Herbicidal activity against Lolium rigidum accession A03 assessed as emergence rate applied at 1 times pre-emergence recommended rate relative to untreated control Lolium rigidum 0.0 %
Herbicidal activity against Lolium rigidum accession A02 assessed as emergence rate applied at 1 times pre-emergence recommended rate relative to untreated control Lolium rigidum 0.0 %
Herbicidal activity against Lolium rigidum accession A01 assessed as emergence rate applied at 1 times pre-emergence recommended rate relative to untreated control Lolium rigidum 0.0 %
Herbicidal activity against Poa pratensis subsp. pratensis applied using logarithmic sprayer Poa pratensis subsp. pratensis 2.34 kg/ha

Cross References

Resources Reference
ChEMBL CHEMBL2251843
FDA SRS 8VCE6FU50D
PubChem 62020
SureChEMBL SCHEMBL20845
CONTENTS