Molecule

ID:112180

General Information

Structure

MolImage

Molecular Formula

C₁₀H₁₀Br₄

Molecular Mass

449.8024

Exact Mass

445.75159832

Charge

0

InChI

InChI=1S/C10H10Br4/c11-5-9(13)7-2-1-3-8(4-7)10(14)6-12/h1-4,9-10H,5-6H2

InChIKey

BTMPLMJADSPMBB-UHFFFAOYSA-N

Canonic Smiles

BrCC(c1cccc(c1)C(CBr)Br)Br

Isomeric Smiles

BrCC(Br)c1cc(ccc1)C(Br)CBr

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

5.338225

LogD (pH = 7.4)

5.338225

Log P

5.338225

Molar Refractivity

75.7528

Polarizability

29.264904

Polar Surface Area

0.0

Rotatable Bonds

4

Lipinski's Rule of Five

false

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