Standard InChI: InChI=1S/C19H18F3O8P/c1-25-31(24,26-2)18(12-6-7-15-16(8-12)29-11-28-15)30-17(23)10-27-14-5-3-4-13(9-14)19(20,21)22/h3-9,18H,10-11H2,1-2H3
Standard InChI Key: NNZZQADHZQRJJJ-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: 462.31
Molecular Weight (Monoisotopic): 462.0691
AlogP: 4.54
#Rotatable Bonds: 8
Polar Surface Area: 89.52
Molecular Species: NEUTRAL
HBA: 8
HBD: 0
#RO5 Violations: 0
HBA (Lipinski): 8
HBD (Lipinski): 0
#RO5 Violations (Lipinski): 0
CX Acidic pKa:
CX Basic pKa:
CX LogP: 3.74
CX LogD: 3.74
Aromatic Rings: 2
Heavy Atoms: 31
QED Weighted: 0.42
Np Likeness Score: -0.69
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]
