Molecule

ID:79678

General Information

Structure

MolImage

Molecular Formula

C₆H₉N

Molecular Mass

95.14236

Exact Mass

95.07349929

Charge

0

InChI

InChI=1S/C6H9N/c1-6(2)4-3-5-7/h1,3-4H2,2H3

InChIKey

XGXZPXIIEIAJKL-UHFFFAOYSA-N

Canonic Smiles

N#CCCC(=C)C

Isomeric Smiles

N#CCCC(=C)C

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

1.3636496

LogD (pH = 7.4)

1.3636496

Log P

1.3636496

Molar Refractivity

29.778

Polarizability

11.389248

Polar Surface Area

23.79

Rotatable Bonds

2

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity