Molecule

ID:8593

General Information
Structure
Molecular Formula
C₄Cl₂F₄O₃
Molecular Mass
242.9406128
Exact Mass
241.9160621
Charge
0
InChI
InChI=1S/C4Cl2F4O3/c5-3(7,8)1(11)13-2(12)4(6,9)10
InChIKey
VBJIFLOSOQGDRZ-UHFFFAOYSA-N
Canonic Smiles
O=C(C(Cl)(F)F)OC(=O)C(Cl)(F)F
Isomeric Smiles
O=C(C(F)(Cl)F)OC(=O)C(F)(Cl)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.365511
LogD (pH = 7.4)
2.365511
Log P
2.365511
Molar Refractivity
33.772
Polarizability
13.096529
Polar Surface Area
43.37
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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