Molecule

ID:89204

General Information

Structure

MolImage

Molecular Formula

C₉H₂₀O

Molecular Mass

144.2545

Exact Mass

144.15141526

Charge

0

InChI

InChI=1S/C9H20O/c1-3-4-5-6-7-8-9-10-2/h3-9H2,1-2H3

InChIKey

RIAWWRJHTAZJSU-UHFFFAOYSA-N

Canonic Smiles

CCCCCCCCOC

Isomeric Smiles

O(CCCCCCCC)C

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

3.2267232

LogD (pH = 7.4)

3.2267232

Log P

3.2267232

Molar Refractivity

45.2901

Polarizability

18.012423

Polar Surface Area

9.23

Rotatable Bonds

7

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity