Molecule

ID:52958

General Information

Structure

MolImage

Molecular Formula

C₇H₆BrIO

Molecular Mass

312.93041

Exact Mass

311.86467481

Charge

0

InChI

InChI=1S/C7H6BrIO/c1-10-5-2-3-7(9)6(8)4-5/h2-4H,1H3

InChIKey

DIQUDEJWQWDXHP-UHFFFAOYSA-N

Canonic Smiles

COc1ccc(c(c1)Br)I

Isomeric Smiles

c1cc(c(cc1OC)Br)I

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

3.5132716

LogD (pH = 7.4)

3.5132716

Log P

3.5132716

Molar Refractivity

53.5065

Polarizability

21.12519

Polar Surface Area

9.23

Rotatable Bonds

1

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