Molecule

ID:8884

General Information
Structure
MolImage
Molecular Formula
C₅H₂F₆O₄
Molecular Mass
240.0573992
Exact Mass
239.98572786
Charge
0
InChI
InChI=1S/C5H2F6O4/c6-3(7,1(12)13)5(10,11)4(8,9)2(14)15/h(H,12,13)(H,14,15)
InChIKey
CCUWGJDGLACFQT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(C(C(C(=O)O)(F)F)(F)F)(F)F
Isomeric Smiles
OC(=O)C(C(C(C(=O)O)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
1.3780652
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-4.8069177
LogD (pH = 7.4)
-5.2138515
Log P
1.8381766
Molar Refractivity
28.4426
Polarizability
11.469862
Polar Surface Area
74.6
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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