Chem Heptane 2 | Cheminformatics
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2D Structure

Heptane


  • SKU Code: CH138581
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Chemical Name - Heptane
Mol Weight - 100.204
Smiles - CCCCCCC
Property Name Property Value
Mol NameHeptane
Molweight100.204
Monoisotopic Mass100.1252
Clogp3.2492
Clogs-2.334
Total Surface Area106.82
Druglikeness-12.388
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index1
Molecular Flexibility0.47234
Molecular Complexity0.23105
Fragments1
Non H Atoms7
Rotatable Bonds4
Sp3 Atoms7
Symmetric Atoms3
SmilesCCCCCCC
InChIKeyInChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
InChIIMNFDUFMRHMDMM-UHFFFAOYSA-N

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