Molecule

ID:77778

General Information

Structure

MolImage

Molecular Formula

C₇H₁₄N₂

Molecular Mass

126.19946

Exact Mass

126.11569846

Charge

0

InChI

InChI=1S/C7H14N2/c1-2-6(1)7-5-8-3-4-9-7/h6-9H,1-5H2

InChIKey

SXGUFQFMTFDRMC-UHFFFAOYSA-N

Canonic Smiles

C1CNC(CN1)C1CC1

Isomeric Smiles

N1CCNCC1C1CC1

Calculated Properties

JChem

H Acceptors

2

H Donor

2

LogD (pH = 5.5)

-3.3349295

LogD (pH = 7.4)

-2.1647952

Log P

0.111537516

Molar Refractivity

37.061

Polarizability

15.227027

Polar Surface Area

24.06

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity