Molecule

ID:15277

General Information

Structure

MolImage

Molecular Formula

C₆H₉F₅O

Molecular Mass

192.127076

Exact Mass

192.05735601

Charge

0

InChI

InChI=1S/C6H9F5O/c7-5(8,6(9,10)11)3-1-2-4-12/h12H,1-4H2

InChIKey

UEKOJSYLWJADHW-UHFFFAOYSA-N

Canonic Smiles

OCCCCC(C(F)(F)F)(F)F

Isomeric Smiles

C(CCCC(C(F)(F)F)(F)F)O

Calculated Properties

JChem

Acid pKa

16.843815

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

1.9303515

LogD (pH = 7.4)

1.9303515

Log P

1.9303515

Molar Refractivity

32.6008

Polarizability

11.921338

Polar Surface Area

20.23

Rotatable Bonds

5

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

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