Molecule

ID:73678

General Information

Structure

MolImage

Molecular Formula

C₉H₁₅N

Molecular Mass

137.2221

Exact Mass

137.12044949

Charge

0

InChI

InChI=1S/C9H15N/c1-9(2)7-5-3-4-6-8-10/h1,3-7H2,2H3

InChIKey

LJODDWICEVUFQX-UHFFFAOYSA-N

Canonic Smiles

N#CCCCCCC(=C)C

Isomeric Smiles

N#CCCCCCC(=C)C

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

2.6973555

LogD (pH = 7.4)

2.6973555

Log P

2.6973555

Molar Refractivity

43.581

Polarizability

16.927809

Polar Surface Area

23.79

Rotatable Bonds

5

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