Molecule

ID:59202

General Information

Structure

MolImage

Molecular Formula

C₈H₁₄N₂

Molecular Mass

138.21016

Exact Mass

138.11569846

Charge

0

InChI

InChI=1S/C8H14N2/c9-7-8(10)5-3-1-2-4-6-8/h1-6,10H2

InChIKey

DLMLXRYNXPKPII-UHFFFAOYSA-N

Canonic Smiles

N#CC1(N)CCCCCC1

Isomeric Smiles

C1CCCC(CC1)(C#N)N

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-0.12812556

LogD (pH = 7.4)

1.2341514

Log P

1.3824596

Molar Refractivity

40.6377

Polarizability

16.10553

Polar Surface Area

49.81

Rotatable Bonds

0

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