Molecule

ID:106972

General Information

Structure

Molecular Formula

C₄H₈Cl₂

Molecular Mass

127.01232

Exact Mass

126.00030562

Charge

0

InChI

InChI=1S/C4H8Cl2/c1-3-4(2,5)6/h3H2,1-2H3

InChIKey

BSRTYNDWQXVCKR-UHFFFAOYSA-N

Canonic Smiles

CCC(Cl)(Cl)C

Isomeric Smiles

CCC(C)(Cl)Cl

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

2.4034066

LogD (pH = 7.4)

2.4034066

Log P

2.4034066

Molar Refractivity

30.7712

Polarizability

11.80574

Polar Surface Area

0.0

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity