Molecule

ID:12055

General Information
Structure
MolImage
Molecular Formula
C₅H₅F₅O
Molecular Mass
176.084616
Exact Mass
176.02605588
Charge
0
InChI
InChI=1S/C5H5F5O/c1-2-3(11)4(6,7)5(8,9)10/h2H2,1H3
InChIKey
GODCHPKYUKOQKA-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)C(C(F)(F)F)(F)F
Isomeric Smiles
C(C(C(=O)CC)(F)F)(F)(F)F
Calculated Properties
JChem
Acid pKa
14.725245
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.639787
LogD (pH = 7.4)
2.639787
Log P
2.639787
Molar Refractivity
26.4999
Polarizability
9.743777
Polar Surface Area
17.07
Rotatable Bonds
3
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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