Molecule

ID:58213

General Information

Structure

MolImage

Molecular Formula

C₉H₁₇N

Molecular Mass

139.23798

Exact Mass

139.13609955

Charge

0

InChI

InChI=1S/C9H17N/c1-2-5-9(4-1)6-3-7-10-8-9/h10H,1-8H2

InChIKey

JFNPSSKPSOKMJH-UHFFFAOYSA-N

Canonic Smiles

C1CCC2(CN1)CCCC2

Isomeric Smiles

C1CCC2(CN1)CCCC2

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-1.4065105

LogD (pH = 7.4)

-0.97198623

Log P

1.8258728

Molar Refractivity

43.1049

Polarizability

17.397926

Polar Surface Area

12.03

Rotatable Bonds

0

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