Molecule

ID:73721

General Information

Structure

MolImage

Molecular Formula

C₇H₁₃Br

Molecular Mass

177.08212

Exact Mass

176.02006242

Charge

0

InChI

InChI=1S/C7H13Br/c1-3-4-5-6-7(2)8/h2-6H2,1H3

InChIKey

LMLBDZMUDSZLFV-UHFFFAOYSA-N

Canonic Smiles

CCCCCC(=C)Br

Isomeric Smiles

BrC(=C)CCCCC

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

3.5172822

LogD (pH = 7.4)

3.5172822

Log P

3.5172822

Molar Refractivity

41.7415

Polarizability

16.038036

Polar Surface Area

0.0

Rotatable Bonds

4

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

Click here to submit data

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