Molecule

ID:98546

General Information

Structure

MolImage

Molecular Formula

C₃F₅N

Molecular Mass

145.030816

Exact Mass

144.99509011

Charge

0

InChI

InChI=1S/C3F5N/c4-2(5,1-9)3(6,7)8

InChIKey

MTLOQUGSPBVZEO-UHFFFAOYSA-N

Canonic Smiles

N#CC(C(F)(F)F)(F)F

Isomeric Smiles

FC(F)(F)C(F)(F)C#N

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

1.6675745

LogD (pH = 7.4)

1.6675745

Log P

1.6675745

Molar Refractivity

17.3012

Polarizability

6.2331147

Polar Surface Area

23.79

Rotatable Bonds

1

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

References

Bioactivity