Molecule

ID:69205

General Information

Structure

Molecular Formula

C₅H₄Br₂N₂O

Molecular Mass

267.90606

Exact Mass

265.86903676

Charge

0

InChI

InChI=1S/C5H4Br2N2O/c1-9-2-3(6)8-4(7)5(9)10/h2H,1H3

InChIKey

LNVJQIHAUHVGEV-UHFFFAOYSA-N

Canonic Smiles

Cn1cc(Br)nc(c1=O)Br

Isomeric Smiles

c1(=O)c(nc(cn1C)Br)Br

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

1.3024819

LogD (pH = 7.4)

1.3024819

Log P

1.3024819

Molar Refractivity

54.3231

Polarizability

17.018717

Polar Surface Area

32.67

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