Molecule

ID:7905

General Information

Structure

MolImage

Molecular Formula

C₈H₁₄N₂

Molecular Mass

138.21016

Exact Mass

138.11569846

Charge

0

InChI

InChI=1S/C8H14N2/c9-6-3-7-10-8-4-1-2-5-8/h8,10H,1-5,7H2

InChIKey

YHGZCPAPXDXHCY-UHFFFAOYSA-N

Canonic Smiles

N#CCCNC1CCCC1

Isomeric Smiles

C1CCC(C1)NCCC#N

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-1.7383939

LogD (pH = 7.4)

-0.022572067

Log P

0.9347683

Molar Refractivity

40.8699

Polarizability

16.10553

Polar Surface Area

35.82

Rotatable Bonds

3

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