Molecule

ID:9711

General Information

Structure

MolImage

Molecular Formula

C₉H₁₁Cl

Molecular Mass

154.63664

Exact Mass

154.05492803

Charge

0

InChI

InChI=1S/C9H11Cl/c1-2-3-8-4-6-9(10)7-5-8/h4-7H,2-3H2,1H3

InChIKey

QXQAPNSHUJORMC-UHFFFAOYSA-N

Canonic Smiles

CCCc1ccc(cc1)Cl

Isomeric Smiles

c1c(ccc(c1)CCC)Cl

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

3.979849

LogD (pH = 7.4)

3.979849

Log P

3.979849

Molar Refractivity

45.106

Polarizability

17.637259

Polar Surface Area

0.0

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