Molecule

ID:95106

General Information
Structure
MolImage
Molecular Formula
C₃Cl₄F₂O
Molecular Mass
231.8403064
Exact Mass
229.86713178
Charge
0
InChI
InChI=1S/C3Cl4F2O/c4-2(5,8)1(10)3(6,7)9
InChIKey
MXYOKVCIXGJEFW-UHFFFAOYSA-N
Canonic Smiles
O=C(C(Cl)(Cl)F)C(Cl)(Cl)F
Isomeric Smiles
O=C(C(Cl)(F)Cl)C(Cl)(F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1976836
LogD (pH = 7.4)
3.1976836
Log P
3.1976836
Molar Refractivity
37.5544
Polarizability
14.137205
Polar Surface Area
17.07
Rotatable Bonds
2
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
References
Bioactivity
Navigation