Molecule

ID:32188

General Information

Structure

MolImage

Molecular Formula

C₉H₁₉N

Molecular Mass

141.25386

Exact Mass

141.15174961

Charge

0

InChI

InChI=1S/C9H19N/c1-2-8-10-9-6-4-3-5-7-9/h9-10H,2-8H2,1H3

InChIKey

PXKCSKRXWAZGFK-UHFFFAOYSA-N

Canonic Smiles

CCCNC1CCCCC1

Isomeric Smiles

N(C1CCCCC1)CCC

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-0.75344396

LogD (pH = 7.4)

-0.5733779

Log P

2.4857223

Molar Refractivity

44.9802

Polarizability

18.13941

Polar Surface Area

12.03

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