Molecule

ID:58786

General Information

Structure

Molecular Formula

C₁₀H₁₇N

Molecular Mass

151.24868

Exact Mass

151.13609955

Charge

0

InChI

InChI=1S/C10H17N/c1-3-9(2)11-10-7-5-4-6-8-10/h1,9-11H,4-8H2,2H3

InChIKey

RJUDENKDQFXMGK-UHFFFAOYSA-N

Canonic Smiles

CC(NC1CCCCC1)C#C

Isomeric Smiles

C#CC(NC1CCCCC1)C

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-0.9408889

LogD (pH = 7.4)

0.036628783

Log P

2.2510502

Molar Refractivity

47.7066

Polarizability

18.878473

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