Molecule

ID:73677

General Information

Structure

Molecular Formula

C₈H₁₃N

Molecular Mass

123.19552

Exact Mass

123.10479942

Charge

0

InChI

InChI=1S/C8H13N/c1-8(2)6-4-3-5-7-9/h1,3-6H2,2H3

InChIKey

ZMKLVCPTSRCYGO-UHFFFAOYSA-N

Canonic Smiles

N#CCCCCC(=C)C

Isomeric Smiles

N#CCCCCC(=C)C

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

2.2527869

LogD (pH = 7.4)

2.2527869

Log P

2.2527869

Molar Refractivity

38.98

Polarizability

15.08142

Polar Surface Area

23.79

Rotatable Bonds

4

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