Molecule

ID:71652

General Information

Structure

MolImage

Molecular Formula

C₉H₂₀O₂

Molecular Mass

160.2539

Exact Mass

160.14632988

Charge

0

InChI

InChI=1S/C9H20O2/c1-4-7-8-9(10-5-2)11-6-3/h9H,4-8H2,1-3H3

InChIKey

XCWKYQWOLSOBCC-UHFFFAOYSA-N

Canonic Smiles

CCCCC(OCC)OCC

Isomeric Smiles

C(CCC(OCC)OCC)C

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

2.6568341

LogD (pH = 7.4)

2.6568341

Log P

2.6568341

Molar Refractivity

46.8758

Polarizability

18.688713

Polar Surface Area

18.46

Rotatable Bonds

7

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity