Molecule

ID:98558

General Information
Structure
MolImage
Molecular Formula
C₆H₅F₅O₂
Molecular Mass
204.094716
Exact Mass
204.0209705
Charge
0
InChI
InChI=1S/C6H5F5O2/c1-2-4(12)13-3-5(7,8)6(9,10)11/h2H,1,3H2
InChIKey
JDVGNKIUXZQTFD-UHFFFAOYSA-N
Canonic Smiles
C=CC(=O)OCC(C(F)(F)F)(F)F
Isomeric Smiles
O(C(=O)C=C)CC(C(F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5679135
LogD (pH = 7.4)
2.5679135
Log P
2.5679135
Molar Refractivity
32.1786
Polarizability
11.999425
Polar Surface Area
26.3
Rotatable Bonds
5
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
References
Bioactivity
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