Standard InChI: InChI=1S/C21H22F3O8P/c1-3-30-33(26,31-4-2)20(14-8-9-17-18(10-14)29-13-28-17)32-19(25)12-27-16-7-5-6-15(11-16)21(22,23)24/h5-11,20H,3-4,12-13H2,1-2H3
Standard InChI Key: UUZKFCHVBZMKNG-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: 490.37
Molecular Weight (Monoisotopic): 490.1004
AlogP: 5.32
#Rotatable Bonds: 10
Polar Surface Area: 89.52
Molecular Species: NEUTRAL
HBA: 8
HBD: 0
#RO5 Violations: 1
HBA (Lipinski): 8
HBD (Lipinski): 0
#RO5 Violations (Lipinski): 1
CX Acidic pKa:
CX Basic pKa:
CX LogP: 4.44
CX LogD: 4.44
Aromatic Rings: 2
Heavy Atoms: 33
QED Weighted: 0.33
Np Likeness Score: -0.66
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]
