Molecule

ID:86930

General Information
Structure
MolImage
Molecular Formula
C₇H₅Cl₂I
Molecular Mass
286.92507
Exact Mass
285.88130352
Charge
0
InChI
InChI=1S/C7H5Cl2I/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,1H3
InChIKey
MNSJEXGGZOEAPS-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(C)c(c(c1)Cl)I
Isomeric Smiles
Clc1cc(cc(c1I)C)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.623701
LogD (pH = 7.4)
4.623701
Log P
4.623701
Molar Refractivity
54.0713
Polarizability
21.16791
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