Molecule

ID:74753

General Information

Structure

MolImage

Molecular Formula

C₃H₂Br₂N₂

Molecular Mass

225.86938

Exact Mass

223.85847207

Charge

0

InChI

InChI=1S/C3H2Br2N2/c4-2-3(5)7-1-6-2/h1H,(H,6,7)

InChIKey

MYYYOBVDIRECDX-UHFFFAOYSA-N

Canonic Smiles

Brc1[nH]cnc1Br

Isomeric Smiles

[nH]1c(c(nc1)Br)Br

Calculated Properties

JChem

Acid pKa

9.646485

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

1.2897049

LogD (pH = 7.4)

1.2958468

Log P

1.2981585

Molar Refractivity

34.8826

Polarizability

13.481795

Polar Surface Area

28.68

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