Molecule

ID:100183

General Information
Structure
Molecular Formula
C₅H₆F₂O₂
Molecular Mass
136.0967464
Exact Mass
136.03358587
Charge
0
InChI
InChI=1S/C5H6F2O2/c1-4(8)9-3-2-5(6)7/h2H,3H2,1H3
InChIKey
SFMCWVFEKGYGMH-UHFFFAOYSA-N
Canonic Smiles
CC(=O)OCC=C(F)F
Isomeric Smiles
FC(=CCOC(=O)C)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.832948
LogD (pH = 7.4)
0.832948
Log P
0.832948
Molar Refractivity
37.7051
Polarizability
10.212513
Polar Surface Area
26.3
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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