Chem N Heptanol Molychem | Cheminformatics
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2D Structure

N-Heptanol


  • SKU Code: CH140944
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Chemical Name - N-Heptanol
Mol Weight - 116.203
Smiles - CCCCCCCO
Property Name Property Value
Mol NameN-Heptanol
Molweight116.203
Monoisotopic Mass116.120115
Clogp2.3225
Clogs-1.827
H Acceptors1
H Donors1
Total Surface Area114.67
Relative Psa0.11424
Polar Surface Area20.23
Druglikeness-27.026
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Shape Index1
Molecular Flexibility0.53766
Molecular Complexity0.53648
Fragments1
Non H Atoms8
Non Ch Atoms1
Electronegative Atoms1
Rotatable Bonds5
Sp3 Atoms8
SmilesCCCCCCCO
InChIKeyInChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3
InChIBBMCTIGTTCKYKF-UHFFFAOYSA-N

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