Molecule

ID:50161

General Information

Structure

MolImage

Molecular Formula

C₆H₁₃N

Molecular Mass

99.17412

Exact Mass

99.10479942

Charge

0

InChI

InChI=1S/C6H13N/c1-2-6-3-4-7-5-6/h6-7H,2-5H2,1H3

InChIKey

DZFFQSFNUBWNSF-UHFFFAOYSA-N

Canonic Smiles

CCC1CNCC1

Isomeric Smiles

N1CC(CC)CC1

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-2.218674

LogD (pH = 7.4)

-2.1542075

Log P

1.0224605

Molar Refractivity

31.307

Polarizability

12.598926

Polar Surface Area

12.03

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

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Molecule Details

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References

Bioactivity