Molecule

ID:12141

General Information
Structure
MolImage
Molecular Formula
C₄Cl₂F₄O₂
Molecular Mass
226.9412128
Exact Mass
225.92114748
Charge
0
InChI
InChI=1S/C4Cl2F4O2/c5-1(11)3(7,8)4(9,10)2(6)12
InChIKey
XCSFZFHJQXODPO-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C(C(C(=O)Cl)(F)F)(F)F
Isomeric Smiles
O=C(Cl)C(C(C(=O)Cl)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.204193
LogD (pH = 7.4)
2.204193
Log P
2.204193
Molar Refractivity
31.4916
Polarizability
12.292641
Polar Surface Area
34.14
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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