Standard InChI: InChI=1S/C20H21ClF3O6P/c1-3-28-31(26,29-4-2)19(14-8-10-16(21)11-9-14)30-18(25)13-27-17-7-5-6-15(12-17)20(22,23)24/h5-12,19H,3-4,13H2,1-2H3
Standard InChI Key: YZYKWEFLBFITST-UHFFFAOYSA-N
Associated Targets(non-human)
Medicago sativa 511 Activities
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Amaranthus retroflexus 1838 Activities
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Brassica napus 1186 Activities
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Digitaria sanguinalis 1594 Activities
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Echinochloa crus-galli 3685 Activities
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Cucumis sativus 803 Activities
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Molecule Features
Natural Product: No
Oral: No
Chemical Probe: No
Parenteral: No
Molecule Type: Small molecule
Topical: No
First In Class: No
Black Box: No
Chirality: No
Availability: No
Prodrug: No
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Properties
Molecular Weight: 480.80
Molecular Weight (Monoisotopic): 480.0716
AlogP: 6.25
#Rotatable Bonds: 10
Polar Surface Area: 71.06
Molecular Species: NEUTRAL
HBA: 6
HBD: 0
#RO5 Violations: 1
HBA (Lipinski): 6
HBD (Lipinski): 0
#RO5 Violations (Lipinski): 1
CX Acidic pKa:
CX Basic pKa:
CX LogP: 5.32
CX LogD: 5.32
Aromatic Rings: 2
Heavy Atoms: 31
QED Weighted: 0.30
Np Likeness Score: -0.94
References
1.He H, Chen T, Li Y. (2007) Synthesis and herbicidal activity of alkyl 1-(3-trifluoromethylphenoxyacetoxy)-1-substituted methylphosphonates, 32 (1):[10.1584/jpestics.G06-05]
