Molecule

ID:8665

General Information

Structure

Molecular Formula

C₈H₇IO₂

Molecular Mass

262.04445

Exact Mass

261.94907746

Charge

0

InChI

InChI=1S/C8H7IO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H,10,11)

InChIKey

DKMIWBBIVNNAMG-UHFFFAOYSA-N

Canonic Smiles

OC(=O)c1ccc(c(c1)C)I

Isomeric Smiles

c1c(c(cc(c1)C(=O)O)C)I

Calculated Properties

JChem

Acid pKa

4.048376

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

1.6100993

LogD (pH = 7.4)

-0.057473782

Log P

3.0731945

Molar Refractivity

51.7179

Polarizability

19.695108

Polar Surface Area

37.3

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