Standard InChI: InChI=1S/C19H11F4NO4/c20-10-4-6-12(15(23)8-10)16-7-5-11(28-16)9-27-19(26)24-18(25)17-13(21)2-1-3-14(17)22/h1-8H,9H2,(H,24,25,26)
Standard InChI Key: XOOXHNZKZGREFP-UHFFFAOYSA-N
Associated Targets(non-human)
Thanatephorus cucumeris 609 Activities
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Fusarium oxysporum 3998 Activities
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Corynespora cassiicola 104 Activities
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Botrytis cinerea 4183 Activities
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Plutella xylostella 1838 Activities
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Culex pipiens pallens 759 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: 393.29
Molecular Weight (Monoisotopic): 393.0624
AlogP: 4.57
#Rotatable Bonds: 4
Polar Surface Area: 68.54
Molecular Species: ACID
HBA: 4
HBD: 1
#RO5 Violations: 0
HBA (Lipinski): 5
HBD (Lipinski): 1
#RO5 Violations (Lipinski): 0
CX Acidic pKa: 5.30
CX Basic pKa:
CX LogP: 4.35
CX LogD: 2.64
Aromatic Rings: 3
Heavy Atoms: 28
QED Weighted: 0.66
Np Likeness Score: -1.36
References
1.Li Y, Li BJ, Ling Y, Miao HJ, Shi YX, Yang XL.. (2010) Synthesis and fungicidal activity of aryl carbamic acid-5-aryl-2-furanmethyl ester., 58 (5):[PMID:20151651][10.1021/jf9043277]
