Molecule

ID:8886

General Information
Structure
MolImage
Molecular Formula
C₅Cl₂F₆O₂
Molecular Mass
276.9487192
Exact Mass
275.91795392
Charge
0
InChI
InChI=1S/C5Cl2F6O2/c6-1(14)3(8,9)5(12,13)4(10,11)2(7)15
InChIKey
QOLALWJWCONGMG-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C(C(C(C(=O)Cl)(F)F)(F)F)(F)F
Isomeric Smiles
O=C(Cl)C(C(C(C(=O)Cl)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.904836
LogD (pH = 7.4)
2.904836
Log P
2.904836
Molar Refractivity
36.1596
Polarizability
14.158374
Polar Surface Area
34.14
Rotatable Bonds
4
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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