Molecule

ID:6562

General Information
Structure
MolImage
Molecular Formula
C₅H₆F₆O
Molecular Mass
196.0909592
Exact Mass
196.03228413
Charge
0
InChI
InChI=1S/C5H6F6O/c1-2(12)4(7,8)3(6)5(9,10)11/h2-3,12H,1H3
InChIKey
BBNMWXDGNGRANP-UHFFFAOYSA-N
Canonic Smiles
CC(C(C(C(F)(F)F)F)(F)F)O
Isomeric Smiles
OC(C)C(C(C(F)(F)F)F)(F)F
Calculated Properties
JChem
Acid pKa
12.720312
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8144937
LogD (pH = 7.4)
1.8144916
Log P
1.8144938
Molar Refractivity
27.0686
Polarizability
10.319562
Polar Surface Area
20.23
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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