Molecule

ID:73718

General Information

Structure

MolImage

Molecular Formula

C₁₁H₂₁Cl

Molecular Mass

188.73744

Exact Mass

188.13317835

Charge

0

InChI

InChI=1S/C11H21Cl/c1-3-4-5-6-7-8-9-10-11(2)12/h2-10H2,1H3

InChIKey

LWABGZMRUSFJAS-UHFFFAOYSA-N

Canonic Smiles

CCCCCCCCCC(=C)Cl

Isomeric Smiles

ClC(=C)CCCCCCCCC

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

5.130849

LogD (pH = 7.4)

5.130849

Log P

5.130849

Molar Refractivity

57.3275

Polarizability

22.583393

Polar Surface Area

0.0

Rotatable Bonds

8

Lipinski's Rule of Five

false

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity