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2D Structure

1-Octanol


  • SKU Code: CH138801
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Chemical Name - 1-Octanol
Mol Weight - 130.23
Smiles - CCCCCCCCO
Property Name Property Value
Mol Name1-Octanol
Molweight130.23
Monoisotopic Mass130.135765
Clogp2.7769
Clogs-2.097
H Acceptors1
H Donors1
Total Surface Area128.43
Relative Psa0.102
Polar Surface Area20.23
Druglikeness-32.166
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Shape Index1
Molecular Flexibility0.5302
Molecular Complexity0.40236
Fragments1
Non H Atoms9
Non Ch Atoms1
Electronegative Atoms1
Rotatable Bonds6
Sp3 Atoms9
SmilesCCCCCCCCO
InChIKeyInChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
InChIKBPLFHHGFOOTCA-UHFFFAOYSA-N

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