Molecule

ID:8002

General Information

Structure

MolImage

Molecular Formula

C₉H₁₁Cl

Molecular Mass

154.63664

Exact Mass

154.05492803

Charge

0

InChI

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

InChIKey

WDZACGWEPQLKOM-UHFFFAOYSA-N

Canonic Smiles

Cc1cc(C)c(c(c1)C)Cl

Isomeric Smiles

c1(cc(C)cc(c1Cl)C)C

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

4.1175547

LogD (pH = 7.4)

4.1175547

Log P

4.1175547

Molar Refractivity

45.9864

Polarizability

17.479738

Polar Surface Area

0.0

Rotatable Bonds

0

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