Molecule
ID:16256
General Information
Molecular Formula
C₅H₆F₂O₄
Molecular Mass
168.0955464
Exact Mass
168.02341511
Charge
0
InChI
InChI=1S/C5H6F2O4/c1-10-3(8)5(6,7)4(9)11-2/h1-2H3
InChIKey
NHTZDSRSPCFQCJ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C(=O)OC)(F)F
Isomeric Smiles
O=C(C(C(=O)OC)(F)F)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.72867924
LogD (pH = 7.4)
0.72867924
Log P
0.72867924
Molar Refractivity
28.6448
Polarizability
11.513594
Polar Surface Area
52.6
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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