Molecule

ID:65478

General Information

Structure

MolImage

Molecular Formula

C₅H₅N

Molecular Mass

79.0999

Exact Mass

79.04219917

Charge

0

InChI

InChI=1S/C5H5N/c1-2-3-4-5-6/h1H,3-4H2

InChIKey

VMUWIDHKAIGONP-UHFFFAOYSA-N

Canonic Smiles

C#CCCC#N

Isomeric Smiles

C#CCCC#N

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

0.6171216

LogD (pH = 7.4)

0.6171216

Log P

0.6171216

Molar Refractivity

23.9135

Polarizability

8.682315

Polar Surface Area

23.79

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