Molecule

ID:50177

General Information

Structure

MolImage

Molecular Formula

C₉H₁₇N

Molecular Mass

139.23798

Exact Mass

139.13609955

Charge

0

InChI

InChI=1S/C9H17N/c1-2-8(3-1)6-9-4-5-10-7-9/h8-10H,1-7H2

InChIKey

DTYXLIYJPAQKGO-UHFFFAOYSA-N

Canonic Smiles

C1CC(C1)CC1CCNC1

Isomeric Smiles

N1CC(CC2CCC2)CC1

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-1.5062417

LogD (pH = 7.4)

-1.4416581

Log P

1.734891

Molar Refractivity

43.2554

Polarizability

17.397926

Polar Surface Area

12.03

Rotatable Bonds

2

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