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Chem Cyclohexanone 2deep | Cheminformatics

Cyclohexanone


  • SKU Code: CH137341
Chemical Name - Cyclohexanone
Mol Weight - 98.1444
Smiles - O=C1CCCCC1
Property Name Property Value
Mol NameCyclohexanone
Molweight98.1444
Monoisotopic Mass98.073165
Clogp1.3436
Clogs-1.802
H Acceptors1
Total Surface Area86.55
Relative Psa0.15066
Polar Surface Area17.07
Druglikeness-9.3155
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Shape Index0.71429
Molecular Flexibility0.21529
Molecular Complexity0.64864
Fragments1
Non H Atoms7
Non Ch Atoms1
Electronegative Atoms1
Rings Closures1
Small Rings1
Sp3 Atoms5
Symmetric Atoms2
SmilesO=C1CCCCC1
InChIKeyInChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2
InChIJHIVVAPYMSGYDF-UHFFFAOYSA-N

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1 - Cyclohexanone
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