Molecule

ID:73687

General Information

Structure

Molecular Formula

C₉H₁₅ClO₂

Molecular Mass

190.6672

Exact Mass

190.0760574

Charge

0

InChI

InChI=1S/C9H15ClO2/c1-3-12-9(11)7-5-4-6-8(2)10/h2-7H2,1H3

InChIKey

APXFUPFGRUFLGP-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)CCCCC(=C)Cl

Isomeric Smiles

ClC(=C)CCCCC(=O)OCC

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

2.5350344

LogD (pH = 7.4)

2.5350344

Log P

2.5350344

Molar Refractivity

50.1066

Polarizability

19.676079

Polar Surface Area

26.3

Rotatable Bonds

7

Lipinski's Rule of Five

true

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