Molecule

ID:9604

General Information

Structure

Molecular Formula

C₄F₇N

Molecular Mass

195.0383224

Exact Mass

194.99189655

Charge

0

InChI

InChI=1S/C4F7N/c5-2(6,1-12)3(7,8)4(9,10)11

InChIKey

BOZRBIJGLJJPRF-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

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

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

2.3682172

LogD (pH = 7.4)

2.3682172

Log P

2.3682172

Molar Refractivity

21.9692

Polarizability

8.146922

Polar Surface Area

23.79

Rotatable Bonds

2

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