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Chem Fenvalerate Meghamani | Cheminformatics

Fenvalerate


  • SKU Code: CH139765
Chemical Name - Fenvalerate
Mol Weight - 419.907
Smiles - CC(C)C(C(OC(c1cc(Oc2ccccc2)ccc1)C#N)=O)c(cc1)ccc1Cl
Property Name Property Value
Mol NameFenvalerate
Molweight419.907
Monoisotopic Mass419.128821
Clogp5.6229
Clogs-7.095
H Acceptors4
Total Surface Area329.68
Relative Psa0.14135
Polar Surface Area59.32
Druglikeness-5.9255
Mutagenichigh
Tumorigeniclow
Reproductive Effectivehigh
Irritanthigh
Shape Index0.56667
Molecular Flexibility0.47982
Molecular Complexity0.78115
Fragments1
Non H Atoms30
Non Ch Atoms5
Electronegative Atoms5
Stereo Centers2
Rotatable Bonds8
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3 Atoms7
Symmetric Atoms5
SmilesCC(C)C(C(OC(c1cc(Oc2ccccc2)ccc1)C#N)=O)c(cc1)ccc1Cl
InChIKeyInChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3
InChINYPJDWWKZLNGGM-UHFFFAOYSA-N

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1 - Fenvalerate
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