Molecule

ID:65405

General Information

Structure

MolImage

Molecular Formula

C₄H₇FO₂

Molecular Mass

106.0955832

Exact Mass

106.04300768

Charge

0

InChI

InChI=1S/C4H7FO2/c5-4(1-6)2-7-3-4/h6H,1-3H2

InChIKey

BBAFPURKVADOED-UHFFFAOYSA-N

Canonic Smiles

OCC1(F)COC1

Isomeric Smiles

C1(COC1)(CO)F

Calculated Properties

JChem

Acid pKa

13.887534

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-0.552552

LogD (pH = 7.4)

-0.5525521

Log P

-0.552552

Molar Refractivity

21.4958

Polarizability

8.581627

Polar Surface Area

29.46

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

Bioactivity