Molecule
ID:97619
General Information
Molecular Formula
C₄H₃Cl₂F₃
Molecular Mass
178.9678296
Exact Mass
177.95639012
Charge
0
InChI
InChI=1S/C4H3Cl2F3/c1-2-3(5,7)4(6,8)9/h2H,1H2
InChIKey
WBBGKGBZAUXPNM-UHFFFAOYSA-N
Canonic Smiles
C=CC(C(Cl)(F)F)(Cl)F
Isomeric Smiles
ClC(C(C=C)(F)Cl)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.1986275
LogD (pH = 7.4)
3.1986275
Log P
3.1986275
Molar Refractivity
31.0031
Polarizability
11.371631
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...