Molecule

ID:94914

General Information
Structure
MolImage
Molecular Formula
C₈H₅F₅O
Molecular Mass
212.116716
Exact Mass
212.02605588
Charge
0
InChI
InChI=1S/C8H5F5O/c9-5-1-3-6(4-2-5)14-8(12,13)7(10)11/h1-4,7H
InChIKey
HGSJHYRBXANKCM-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)OC(C(F)F)(F)F
Isomeric Smiles
O(c1ccc(cc1)F)C(C(F)F)(F)F
Calculated Properties
JChem
Acid pKa
18.811844
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2727509
LogD (pH = 7.4)
3.2727509
Log P
3.2727509
Molar Refractivity
37.8631
Polarizability
13.959301
Polar Surface Area
9.23
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
No Data Available
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Molecule Details
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References
Bioactivity
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