Molecule

ID:65392

General Information
Structure
MolImage
Molecular Formula
C₆H₄I₂O₂S
Molecular Mass
393.9687
Exact Mass
393.80214637
Charge
0
InChI
InChI=1S/C6H4I2O2S/c7-5-3-4(6(8)11-5)10-2-1-9-3/h1-2H2
InChIKey
XNVYOUBEESESHB-UHFFFAOYSA-N
Canonic Smiles
Ic1sc(c2c1OCCO2)I
Isomeric Smiles
s1c(c2c(c1I)OCCO2)I
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4567013
LogD (pH = 7.4)
3.4567013
Log P
3.4567013
Molar Refractivity
59.166
Polarizability
24.447554
Polar Surface Area
18.46
Rotatable Bonds
0
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