Molecule

ID:106968

General Information

Structure

Molecular Formula

C₄H₁₂Br₂ClN

Molecular Mass

269.40578

Exact Mass

266.90250107

Charge

0

InChI

InChI=1S/C4H12N.Br2Cl/c1-5(2,3)4;1-2-3/h1-4H3;/q+1;-1

InChIKey

RQEJRMVHBBCBKL-UHFFFAOYSA-N

Canonic Smiles

C[N+](C)(C)C.Cl[Br-]Br

Isomeric Smiles

Cl[Br-]Br.C[N+](C)(C)C

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

-3.9721673

LogD (pH = 7.4)

-3.9721673

Log P

-3.9721673

Molar Refractivity

35.9017

Polarizability

9.572162

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