Chem Diethylene Glycol 2 Molychem | Cheminformatics
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2D Structure

Diethylene Glycol


  • SKU Code: CH140886
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Chemical Name - Diethylene Glycol
Mol Weight - 106.12
Smiles - OCCOCCO
Property Name Property Value
Mol NameDiethylene Glycol
Molweight106.12
Monoisotopic Mass106.062995
Clogp-0.9687
Clogs0.109
H Acceptors3
H Donors2
Total Surface Area91.24
Relative Psa0.39676
Polar Surface Area49.69
Druglikeness-5.7382
Mutagenicnone
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Shape Index1
Molecular Flexibility0.71513
Molecular Complexity0.3662
Fragments1
Non H Atoms7
Non Ch Atoms3
Electronegative Atoms3
Rotatable Bonds4
Sp3 Atoms7
Symmetric Atoms3
SmilesOCCOCCO
InChIKeyInChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
InChIMTHSVFCYNBDYFN-UHFFFAOYSA-N

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