Molecule

ID:93116

General Information
Structure
MolImage
Molecular Formula
C₅H₃F₇O
Molecular Mass
212.0655424
Exact Mass
212.00721226
Charge
0
InChI
InChI=1S/C5H3F7O/c1-3(2(6)13,4(7,8)9)5(10,11)12/h1H3
InChIKey
LKMMDSMLDJMRSU-UHFFFAOYSA-N
Canonic Smiles
FC(=O)C(C(F)(F)F)(C(F)(F)F)C
Isomeric Smiles
FC(F)(F)C(C)(C(=O)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5507853
LogD (pH = 7.4)
2.5507853
Log P
2.5507853
Molar Refractivity
27.4346
Polarizability
9.994204
Polar Surface Area
17.07
Rotatable Bonds
3
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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