Chem 16 Hexandiol Molychem | Cheminformatics
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2D Structure

1,6 Hexandiol


  • SKU Code: CH140943
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Chemical Name - 1,6 Hexandiol
Mol Weight - 118.175
Smiles - OCCCCCCO
Property Name Property Value
Mol Name1,6 Hexandiol
Molweight118.175
Monoisotopic Mass118.09938
Clogp0.9414
Clogs-1.05
H Acceptors2
H Donors2
Total Surface Area108.76
Relative Psa0.2409
Polar Surface Area40.46
Druglikeness-17.249
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritanthigh
Shape Index1
Molecular Flexibility0.59037
Molecular Complexity0.53648
Fragments1
Non H Atoms8
Non Ch Atoms2
Electronegative Atoms2
Rotatable Bonds5
Sp3 Atoms8
Symmetric Atoms4
SmilesOCCCCCCO
InChIKeyInChI=1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2
InChIXXMIOPMDWAUFGU-UHFFFAOYSA-N

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