Molecule

ID:64335

General Information

Structure

MolImage

Molecular Formula

C₈H₇BrN₂

Molecular Mass

211.05858

Exact Mass

209.97926023

Charge

0

InChI

InChI=1S/C8H7BrN2/c1-11-5-6-7(9)3-2-4-8(6)10-11/h2-5H,1H3

InChIKey

OFOZLGCQBJDWRJ-UHFFFAOYSA-N

Canonic Smiles

Cn1nc2c(c1)c(Br)ccc2

Isomeric Smiles

c12c(nn(c1)C)cccc2Br

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

2.5451717

LogD (pH = 7.4)

2.5451853

Log P

2.5451856

Molar Refractivity

58.6624

Polarizability

19.122625

Polar Surface Area

17.82

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