Molecule

ID:71276

General Information

Structure

Molecular Formula

C₁₁H₉Br

Molecular Mass

221.09316

Exact Mass

219.98876229

Charge

0

InChI

InChI=1S/C11H9Br/c1-8-10-5-3-2-4-9(10)6-7-11(8)12/h2-7H,1H3

InChIKey

AEJFBKVIGAYAQV-UHFFFAOYSA-N

Canonic Smiles

Brc1ccc2c(c1C)cccc2

Isomeric Smiles

c1(c2c(ccc1Br)cccc2)C

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

4.2448964

LogD (pH = 7.4)

4.2448964

Log P

4.2448964

Molar Refractivity

55.1722

Polarizability

22.238325

Polar Surface Area

0.0

Rotatable Bonds

0

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