Molecule

ID:99539

General Information
Structure
MolImage
Molecular Formula
C₇H₅Cl₂FMg
Molecular Mass
203.3240032
Exact Mass
201.96027544
Charge
0
InChI
InChI=1S/C7H5ClF.ClH.Mg/c1-5-6(8)3-2-4-7(5)9;;/h2-4H,1H2;1H;/q;;+1/p-1
InChIKey
IVFBAUOHRAJUQY-UHFFFAOYSA-M
Canonic Smiles
Cl[Mg]Cc1c(F)cccc1Cl
Isomeric Smiles
Fc1cccc(c1C[Mg]Cl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.7145
LogD (pH = 7.4)
2.7145
Log P
2.7145
Molar Refractivity
41.5224
Polarizability
17.660349
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...