Molecule

ID:108406

General Information

Structure

Molecular Formula

C₁₀H₁₇Cl

Molecular Mass

172.69498

Exact Mass

172.10187822

Charge

0

InChI

InChI=1S/C10H17Cl/c1-2-3-4-5-6-7-8-9-10-11/h2-5,8-10H2,1H3

InChIKey

WQROTKWHQIGFTO-UHFFFAOYSA-N

Canonic Smiles

CCCCCC#CCCCCl

Isomeric Smiles

CCCCCC#CCCCCl

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

4.4120326

LogD (pH = 7.4)

4.4120326

Log P

4.4120326

Molar Refractivity

52.1533

Polarizability

19.86573

Polar Surface Area

0.0

Rotatable Bonds

7

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity