Molecule

ID:106947

General Information

Structure

Molecular Formula

C₅H₈Cl₂

Molecular Mass

139.02302

Exact Mass

138.00030562

Charge

0

InChI

InChI=1S/C5H8Cl2/c6-4-2-1-3-5(4)7/h4-5H,1-3H2

InChIKey

QPIRTTQWLDPXBN-UHFFFAOYSA-N

Canonic Smiles

ClC1CCCC1Cl

Isomeric Smiles

ClC1CCCC1Cl

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

2.4704049

LogD (pH = 7.4)

2.4704049

Log P

2.4704049

Molar Refractivity

32.138

Polarizability

12.911371

Polar Surface Area

0.0

Rotatable Bonds

0

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