Chem Cyclohexane 2 Suprav | Cheminformatics
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2D Structure

Cyclohexane


  • SKU Code: CH140177
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Chemical Name - Cyclohexane
Mol Weight - 84.1613
Smiles - C1CCCCC1
Property Name Property Value
Mol NameCyclohexane
Molweight84.1613
Monoisotopic Mass84.0939
Clogp2.052
Clogs-2.15
Total Surface Area82.56
Druglikeness-7.6302
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Shape Index0.66667
Molecular Flexibility0.22293
Molecular Complexity0.4621
Fragments1
Non H Atoms6
Rings Closures1
Small Rings1
Sp3 Atoms6
Symmetric Atoms5
SmilesC1CCCCC1
InChIKeyInChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2
InChIXDTMQSROBMDMFD-UHFFFAOYSA-N

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