Molecule

ID:97873

General Information

Structure

MolImage

Molecular Formula

C₅H₈F₃N

Molecular Mass

139.1189296

Exact Mass

139.06088392

Charge

0

InChI

InChI=1S/C5H8F3N/c6-5(7,8)4-1-2-9-3-4/h4,9H,1-3H2

InChIKey

HCWXUWGQMOEJJJ-UHFFFAOYSA-N

Canonic Smiles

FC(C1CNCC1)(F)F

Isomeric Smiles

N1CCC(C1)C(F)(F)F

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-2.551139

LogD (pH = 7.4)

-1.8706502

Log P

0.7964027

Molar Refractivity

27.4869

Polarizability

10.227471

Polar Surface Area

12.03

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