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Chem Cyclohexanone 2 | Cheminformatics

cyclohexanone


  • SKU Code: CH136777
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
InChIKey
InChIC6H10O

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1 - cyclohexanone
2 - cyclohexanone
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