Molecule

ID:8637

General Information

Structure

Molecular Formula

C₈H₉Cl

Molecular Mass

140.61006

Exact Mass

140.03927797

Charge

0

InChI

InChI=1S/C8H9Cl/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3

InChIKey

FKKLHLZFSZGXBN-UHFFFAOYSA-N

Canonic Smiles

Cc1cc(C)cc(c1)Cl

Isomeric Smiles

c1(cc(cc(c1)C)Cl)C

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

3.6041334

LogD (pH = 7.4)

3.6041334

Log P

3.6041334

Molar Refractivity

40.9452

Polarizability

15.718243

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

No Data Available

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Molecule Details

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References

Bioactivity