Molecule

ID:7504

General Information
Structure
MolImage
Molecular Formula
C₇H₆ClI
Molecular Mass
252.48001
Exact Mass
251.92027587
Charge
0
InChI
InChI=1S/C7H6ClI/c1-5-2-3-7(9)6(8)4-5/h2-4H,1H3
InChIKey
IFXSHBHXDHPWEO-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)Cl)I
Isomeric Smiles
c1c(c(cc(c1)C)Cl)I
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.019656
LogD (pH = 7.4)
4.019656
Log P
4.019656
Molar Refractivity
49.2665
Polarizability
19.174513
Polar Surface Area
0.0
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