Molecule

ID:68366

General Information

Structure

Molecular Formula

C₅H₅BrN₂

Molecular Mass

173.0106

Exact Mass

171.96361017

Charge

0

InChI

InChI=1S/C5H5BrN2/c1-4-2-5(6)8-3-7-4/h2-3H,1H3

InChIKey

GBPCCNWUSHSRTM-UHFFFAOYSA-N

Canonic Smiles

Cc1ncnc(c1)Br

Isomeric Smiles

c1nc(cc(n1)C)Br

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

1.1553185

LogD (pH = 7.4)

1.1553795

Log P

1.1553802

Molar Refractivity

35.7788

Polarizability

13.277425

Polar Surface Area

25.78

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