Molecule

ID:7844

General Information
Structure
Molecular Formula
C₄H₂Cl₃F₃
Molecular Mass
213.4128896
Exact Mass
211.91741776
Charge
0
InChI
InChI=1S/C4H2Cl3F3/c5-2(6)1-3(8,9)4(2,7)10/h1H2
InChIKey
YMUQFZZNJWUHMC-UHFFFAOYSA-N
Canonic Smiles
FC1(F)CC(C1(F)Cl)(Cl)Cl
Isomeric Smiles
C1(Cl)(Cl)C(F)(Cl)C(F)(F)C1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.531215
LogD (pH = 7.4)
3.531215
Log P
3.531215
Molar Refractivity
33.2113
Polarizability
12.96404
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