Molecule

ID:68778

General Information

Structure

MolImage

Molecular Formula

C₈H₇BrO₂

Molecular Mass

215.04398

Exact Mass

213.96294146

Charge

0

InChI

InChI=1S/C8H7BrO2/c1-11-7-3-2-6(5-10)8(9)4-7/h2-5H,1H3

InChIKey

ODISAUHBLBVQKC-UHFFFAOYSA-N

Canonic Smiles

COc1ccc(c(c1)Br)C=O

Isomeric Smiles

C(=O)c1c(cc(cc1)OC)Br

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

2.2968295

LogD (pH = 7.4)

2.2968295

Log P

2.2968295

Molar Refractivity

46.728

Polarizability

17.617783

Polar Surface Area

26.3

Rotatable Bonds

2

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