Molecule

ID:50966

General Information
Structure
MolImage
Molecular Formula
C₆H₄ClI₂NO
Molecular Mass
395.364
Exact Mass
394.80708743
Charge
0
InChI
InChI=1S/C6H4ClI2NO/c1-11-5-3(8)2-4(9)10-6(5)7/h2H,1H3
InChIKey
KDGNLHUMFQGFJM-UHFFFAOYSA-N
Canonic Smiles
COc1c(I)cc(nc1Cl)I
Isomeric Smiles
n1c(c(c(cc1I)I)OC)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3126006
LogD (pH = 7.4)
3.3126006
Log P
3.3126006
Molar Refractivity
62.6635
Polarizability
24.933779
Polar Surface Area
22.12
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
Navigation