Molecule

ID:85848

General Information

Structure

MolImage

Molecular Formula

C₇H₁₃BrO₂

Molecular Mass

209.08092

Exact Mass

208.00989166

Charge

0

InChI

InChI=1S/C7H13BrO2/c1-5(2)10-6(9)7(3,4)8/h5H,1-4H3

InChIKey

UNZJYKKJZGIFCG-UHFFFAOYSA-N

Canonic Smiles

CC(OC(=O)C(Br)(C)C)C

Isomeric Smiles

O(C(=O)C(Br)(C)C)C(C)C

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

2.4203005

LogD (pH = 7.4)

2.4203005

Log P

2.4203005

Molar Refractivity

43.5241

Polarizability

17.221918

Polar Surface Area

26.3

Rotatable Bonds

3

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