Diclofop-methyl

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Diclofop-methyl
Accession Number
DB13918
Type
Small Molecule
Groups
Experimental
Description

Herbicide for control of wild oat & foxtails in cereal crops.

Structure
Thumb
Synonyms
  • Dichlorfop-methyl
  • Diclofop methyl
  • Diclosan
  • Hoegrass
  • Hoelon
  • Illoxan
  • Methyldiclofop
External IDs
BRN 2224754
Categories
UNII
9T8QCB25UO
CAS number
51338-27-3
Weight
Average: 341.186
Monoisotopic: 340.02691435
Chemical Formula
C16H14Cl2O4
InChI Key
BACHBFVBHLGWSL-UHFFFAOYSA-N
InChI
InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3
IUPAC Name
methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate
SMILES
COC(=O)C(C)OC1=CC=C(OC2=C(Cl)C=C(Cl)C=C2)C=C1

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
KEGG Compound
C11021
ChemSpider
36557
ChEBI
4510
ChEMBL
CHEMBL34474

Clinical Trials

Clinical Trials
Not Available

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00138 mg/mLALOGPS
logP5.13ALOGPS
logP4.72ChemAxon
logS-5.4ALOGPS
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area44.76 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity83.72 m3·mol-1ChemAxon
Polarizability32.78 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Mass Spectrum (Electron Ionization)MSsplash10-0zfu-5973000000-de9e4da22937b7ba7a9c
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Classification
Not classified

Drug created on October 21, 2017 16:21 / Updated on November 02, 2018 07:47