Molecule
ID:99022
General Information
Molecular Formula
C₄H₂Cl₃F₃
Molecular Mass
213.4128896
Exact Mass
211.91741776
Charge
0
InChI
InChI=1S/C4H2Cl3F3/c1-2(5)3(6,8)4(7,9)10/h1H2
InChIKey
WMNITLQHAQGMNO-UHFFFAOYSA-N
Canonic Smiles
ClC(=C)C(C(Cl)(F)F)(Cl)F
Isomeric Smiles
ClC(=C)C(F)(C(F)(Cl)F)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.4353907
LogD (pH = 7.4)
3.4353907
Log P
3.4353907
Molar Refractivity
35.7193
Polarizability
13.366323
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...