Molecule

ID:67697

General Information

Structure

Molecular Formula

C₇H₅BrN₂

Molecular Mass

197.032

Exact Mass

195.96361017

Charge

0

InChI

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

InChIKey

GZMVKXPKVWQQLO-UHFFFAOYSA-N

Canonic Smiles

Brc1nc2n(c1)cccc2

Isomeric Smiles

c12ccccn1cc(n2)Br

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

1.6775254

LogD (pH = 7.4)

1.7330651

Log P

1.733824

Molar Refractivity

44.4014

Polarizability

16.17792

Polar Surface Area

17.3

Rotatable Bonds

0

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

暂无数据

点击上传数据

References

Bioactivity