Molecule

ID:67395

General Information

Structure

MolImage

Molecular Formula

C₇H₇Br₂N

Molecular Mass

264.94518

Exact Mass

262.89452323

Charge

0

InChI

InChI=1S/C7H7Br2N/c1-4-6(8)3-7(9)5(2)10-4/h3H,1-2H3

InChIKey

CTOFYKSVKNMNGB-UHFFFAOYSA-N

Canonic Smiles

Brc1cc(Br)c(nc1C)C

Isomeric Smiles

c1(c(cc(c(n1)C)Br)Br)C

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

2.5523343

LogD (pH = 7.4)

2.555775

Log P

2.555819

Molar Refractivity

48.3297

Polarizability

18.84136

Polar Surface Area

12.89

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