Molecule

ID:71027

General Information
Structure
MolImage
Molecular Formula
C₈H₈I₂O₂
Molecular Mass
389.95686
Exact Mass
389.8613755
Charge
0
InChI
InChI=1S/C8H8I2O2/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3
InChIKey
GLVOXVCTGAISRY-UHFFFAOYSA-N
Canonic Smiles
COc1cc(I)c(cc1I)OC
Isomeric Smiles
c1(c(cc(c(c1)OC)I)OC)I
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5157921
LogD (pH = 7.4)
3.5157921
Log P
3.5157921
Molar Refractivity
65.7094
Polarizability
26.084068
Polar Surface Area
18.46
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
Navigation