Molecule

ID:87137

General Information

Structure

MolImage

Molecular Formula

C₈H₁₇N

Molecular Mass

127.22728

Exact Mass

127.13609955

Charge

0

InChI

InChI=1S/C8H17N/c1-3-8-5-4-7(2)9-6-8/h7-9H,3-6H2,1-2H3

InChIKey

XOFNHZHCGBPVGJ-UHFFFAOYSA-N

Canonic Smiles

CCC1CCC(NC1)C

Isomeric Smiles

N1CC(CC)CCC1C

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-1.3521602

LogD (pH = 7.4)

-1.0255834

Log P

1.8836042

Molar Refractivity

40.3268

Polarizability

16.292534

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