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2D Structure

1,4-Cyclohexanediol


  • SKU Code: CH137902
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Chemical Name - 1,4-Cyclohexanediol
Mol Weight - 116.159
Smiles - OC(CC1)CCC1O
Property Name Property Value
Mol Name1,4-Cyclohexanediol
Molweight116.159
Monoisotopic Mass116.08373
Clogp0.3478
Clogs-1.352
H Acceptors2
H Donors2
Total Surface Area92.74
Relative Psa0.28251
Polar Surface Area40.46
Druglikeness-1.2426
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.75
Molecular Flexibility0.31407
Molecular Complexity0.59947
Fragments1
Non H Atoms8
Non Ch Atoms2
Electronegative Atoms2
Rings Closures1
Small Rings1
Sp3 Atoms8
Symmetric Atoms5
SmilesOC(CC1)CCC1O
InChIKeyInChI=1S/C6H12O2/c7-5-1-2-6(8)4-3-5/h5-8H,1-4H2
InChIVKONPUDBRVKQLM-UHFFFAOYSA-N

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