Molecule

ID:38209

General Information

Structure

MolImage

Molecular Formula

C₅H₂F₃N

Molecular Mass

133.0712896

Exact Mass

133.01393373

Charge

0

InChI

InChI=1S/C5H2F3N/c6-3-1-9-2-4(7)5(3)8/h1-2H

InChIKey

OCKWONYIDVFISR-UHFFFAOYSA-N

Canonic Smiles

Fc1c(F)cncc1F

Isomeric Smiles

c1(cncc(c1F)F)F

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

1.183677

LogD (pH = 7.4)

1.1836792

Log P

1.1836792

Molar Refractivity

24.5503

Polarizability

8.878564

Polar Surface Area

12.89

Rotatable Bonds

0

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity