Molecule

ID:8621

General Information
Structure
MolImage
Molecular Formula
C₈H₅F₅O
Molecular Mass
212.116716
Exact Mass
212.02605588
Charge
0
InChI
InChI=1S/C8H5F5O/c1-2(14)3-4(9)6(11)8(13)7(12)5(3)10/h2,14H,1H3
InChIKey
WYUNHWKTLDBPLE-UHFFFAOYSA-N
Canonic Smiles
Fc1c(F)c(C(O)C)c(c(c1F)F)F
Isomeric Smiles
C(C)(O)c1c(F)c(F)c(c(c1F)F)F
Calculated Properties
JChem
Acid pKa
13.725352
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.3359807
LogD (pH = 7.4)
2.3359807
Log P
2.3359807
Molar Refractivity
38.3747
Polarizability
13.790601
Polar Surface Area
20.23
Rotatable Bonds
1
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
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References
Bioactivity
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