Molecule

ID:64773

General Information

Structure

MolImage

Molecular Formula

C₇H₅BrN₂

Molecular Mass

197.032

Exact Mass

195.96361017

Charge

0

InChI

InChI=1S/C7H5BrN2/c8-6-2-1-3-7-9-4-5-10(6)7/h1-5H

InChIKey

CCOFGVWHMYYDBG-UHFFFAOYSA-N

Canonic Smiles

Brc1cccc2n1ccn2

Isomeric Smiles

c1cc(n2c(c1)ncc2)Br

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

0.46928865

LogD (pH = 7.4)

1.1852612

Log P

1.2286575

Molar Refractivity

43.3412

Polarizability

16.164778

Polar Surface Area

17.3

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