Chem N Pentane | Cheminformatics
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2D Structure

N-Pentane


  • SKU Code: CH138562
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Chemical Name - N-Pentane
Mol Weight - 72.1503
Smiles - CCCCC
Property Name Property Value
Mol NameN-Pentane
Molweight72.1503
Monoisotopic Mass72.0939
Clogp2.3404
Clogs-1.794
Total Surface Area79.3
Druglikeness-4.6976
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index1
Molecular Flexibility0.43555
Molecular Complexity0.34657
Fragments1
Non H Atoms5
Rotatable Bonds2
Sp3 Atoms5
Symmetric Atoms2
SmilesCCCCC
InChIKeyInChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
InChIOFBQJSOFQDEBGM-UHFFFAOYSA-N

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