Molecule

ID:64337

General Information

Structure

Molecular Formula

C₈H₇BrN₂

Molecular Mass

211.05858

Exact Mass

209.97926023

Charge

0

InChI

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

InChIKey

BVYFYDANLZQCPV-UHFFFAOYSA-N

Canonic Smiles

Brc1ccc2c(c1)nn(c2)C

Isomeric Smiles

c12nn(cc1ccc(c2)Br)C

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

2.5451722

LogD (pH = 7.4)

2.5451853

Log P

2.5451856

Molar Refractivity

58.6624

Polarizability

19.118893

Polar Surface Area

17.82

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