Molecule

ID:89300

General Information

Structure

MolImage

Molecular Formula

C₉H₇Br₃O₂

Molecular Mass

386.86268

Exact Mass

383.79961546

Charge

0

InChI

InChI=1S/C9H7Br3O2/c1-14-8(13)6-2-4-7(5-3-6)9(10,11)12/h2-5H,1H3

InChIKey

JVGOHYPPKZFDAL-UHFFFAOYSA-N

Canonic Smiles

COC(=O)c1ccc(cc1)C(Br)(Br)Br

Isomeric Smiles

O=C(c1ccc(cc1)C(Br)(Br)Br)OC

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

3.9257495

LogD (pH = 7.4)

3.9257495

Log P

3.9257495

Molar Refractivity

66.9869

Polarizability

25.45513

Polar Surface Area

26.3

Rotatable Bonds

3

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity