Molecule

ID:118917

General Information

Structure

Molecular Formula

C₁₀H₁₉Br

Molecular Mass

219.16186

Exact Mass

218.06701261

Charge

0

InChI

InChI=1S/C10H19Br/c11-9-5-4-8-10-6-2-1-3-7-10/h10H,1-9H2

InChIKey

FZFWXUKZEJDCMB-UHFFFAOYSA-N

Canonic Smiles

BrCCCCC1CCCCC1

Isomeric Smiles

BrCCCCC1CCCCC1

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

4.391546

LogD (pH = 7.4)

4.391546

Log P

4.391546

Molar Refractivity

53.9208

Polarizability

21.033962

Polar Surface Area

0.0

Rotatable Bonds

4

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

Bioactivity