Molecule

ID:93648

General Information

Structure

MolImage

Molecular Formula

C₃H₇FO

Molecular Mass

78.0854832

Exact Mass

78.04809306

Charge

0

InChI

InChI=1S/C3H7FO/c1-3(4)2-5/h3,5H,2H2,1H3

InChIKey

WKXZJCKWUCBECD-UHFFFAOYSA-N

Canonic Smiles

CC(CO)F

Isomeric Smiles

OCC(C)F

Calculated Properties

JChem

Acid pKa

14.335307

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

0.09898772

LogD (pH = 7.4)

0.09898767

Log P

0.09898772

Molar Refractivity

17.2803

Polarizability

6.682442

Polar Surface Area

20.23

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