Molecule

ID:98443

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅F₅O₂
Molecular Mass
252.137516
Exact Mass
252.0209705
Charge
0
InChI
InChI=1S/C10H5F5O2/c11-8(12)7(10(13,14)15)17-9(16)6-4-2-1-3-5-6/h1-5H
InChIKey
TYASJMIZETTWMA-UHFFFAOYSA-N
Canonic Smiles
FC(=C(C(F)(F)F)OC(=O)c1ccccc1)F
Isomeric Smiles
O=C(c1ccccc1)OC(=C(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3311746
LogD (pH = 7.4)
3.3311746
Log P
3.3311746
Molar Refractivity
59.4257
Polarizability
17.480164
Polar Surface Area
26.3
Rotatable Bonds
4
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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