Molecule

ID:99841

General Information
Structure
MolImage
Molecular Formula
C₅H₆F₄O₃
Molecular Mass
190.0929528
Exact Mass
190.02530693
Charge
0
InChI
InChI=1S/C5H6F4O3/c1-11-4(10)12-2-5(8,9)3(6)7/h3H,2H2,1H3
InChIKey
LDTVHHNIXCBROE-UHFFFAOYSA-N
Canonic Smiles
COC(=O)OCC(C(F)F)(F)F
Isomeric Smiles
O(CC(F)(F)C(F)F)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.708818
LogD (pH = 7.4)
1.708818
Log P
1.708818
Molar Refractivity
28.2648
Polarizability
11.31532
Polar Surface Area
35.53
Rotatable Bonds
5
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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