Chem Hexane 2 Molychem | Cheminformatics
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2D Structure

Hexane


  • SKU Code: CH140845
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Chemical Name - Hexane
Mol Weight - 86.1772
Smiles - CCCCCC
Property Name Property Value
Mol NameHexane
Molweight86.1772
Monoisotopic Mass86.10955
Clogp2.7948
Clogs-2.064
Total Surface Area93.06
Druglikeness-7.9676
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Shape Index1
Molecular Flexibility0.46107
Molecular Complexity0.54931
Fragments1
Non H Atoms6
Rotatable Bonds3
Sp3 Atoms6
Symmetric Atoms3
SmilesCCCCCC
InChIKeyInChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3
InChIVLKZOEOYAKHREP-UHFFFAOYSA-N

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