Molecule

ID:98203

General Information
Structure
MolImage
Molecular Formula
C₆H₅F₅O₃
Molecular Mass
220.094116
Exact Mass
220.01588512
Charge
0
InChI
InChI=1S/C6H5F5O3/c1-14-4(13)2-3(12)5(7,8)6(9,10)11/h2H2,1H3
InChIKey
FGGMNRZYEBHEIR-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC(=O)C(C(F)(F)F)(F)F
Isomeric Smiles
FC(F)(F)C(F)(F)C(=O)CC(=O)OC
Calculated Properties
JChem
Acid pKa
6.6444383
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.947318
LogD (pH = 7.4)
1.1531813
Log P
1.9773737
Molar Refractivity
32.9862
Polarizability
12.546765
Polar Surface Area
43.37
Rotatable Bonds
5
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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