Molecule

ID:93044

General Information
Structure
Molecular Formula
C₅H₄F₆O₂
Molecular Mass
210.0744792
Exact Mass
210.01154869
Charge
0
InChI
InChI=1S/C5H4F6O2/c1-3(2(12)13,4(6,7)8)5(9,10)11/h1H3,(H,12,13)
InChIKey
OIUKKVROQZMVDV-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(C(F)(F)F)(C(F)(F)F)C
Isomeric Smiles
FC(F)(F)C(C)(C(=O)O)C(F)(F)F
Calculated Properties
JChem
Acid pKa
2.4670775
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.60811645
LogD (pH = 7.4)
-1.2076052
Log P
2.305045
Molar Refractivity
28.2111
Polarizability
10.507615
Polar Surface Area
37.3
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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