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Chem Chlorohexanone 6 Chloro 2 Hexanone | Cheminformatics

Chlorohexanone (6-Chloro-2-Hexanone)


  • SKU Code: CH137815
Chemical Name - Chlorohexanone (6-Chloro-2-Hexanone)
Mol Weight - 134.605
Smiles - CCCCC(CCl)=O.CC(CCCCCl)=O
Property Name Property Value
Mol NameChlorohexanone (6-Chloro-2-Hexanone)
Molweight134.605
Monoisotopic Mass134.049842
Clogp1.9711
Clogs-2.117
H Acceptors1
Total Surface Area113.97
Relative Psa0.11442
Polar Surface Area17.07
Druglikeness-6.34
Mutageniclow
Tumorigenichigh
Reproductive Effectivehigh
Irritantnone
Shape Index0.875
Molecular Flexibility0.56411
Molecular Complexity0.64864
Fragments2
Non H Atoms8
Non Ch Atoms2
Electronegative Atoms2
Rotatable Bonds4
Sp3 Atoms5
SmilesCCCCC(CCl)=O.CC(CCCCCl)=O
InChIKeyInChI=1S/2C6H11ClO/c1-6(8)4-2-3-5-7;1-2-3-4-6(8)5-7/h2*2-5H2,1H3
InChIFJEJPYVZLFJSJZ-UHFFFAOYSA-N

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