Molecule

ID:98424

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅F₅O₂
Molecular Mass
252.137516
Exact Mass
252.0209705
Charge
0
InChI
InChI=1S/C10H5F5O2/c1-2-5(16)17-3-4-6(11)8(13)10(15)9(14)7(4)12/h2H,1,3H2
InChIKey
FSMJGUSJTKJBAD-UHFFFAOYSA-N
Canonic Smiles
C=CC(=O)OCc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
Fc1c(c(c(c(c1F)F)F)F)COC(=O)C=C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3501575
LogD (pH = 7.4)
3.3501575
Log P
3.3501575
Molar Refractivity
47.7551
Polarizability
17.327854
Polar Surface Area
26.3
Rotatable Bonds
4
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
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Molecule Details
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References
Bioactivity
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