Molecule

ID:68437

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆F₂O₅
Molecular Mass
254.2278464
Exact Mass
254.09658005
Charge
0
InChI
InChI=1S/C10H16F2O5/c1-4-15-8(14)10(11,12)7(13)6-5-16-9(2,3)17-6/h6-7,13H,4-5H2,1-3H3
InChIKey
OUFRYOWGFSOSEY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(C1COC(O1)(C)C)O)(F)F
Isomeric Smiles
C(=O)(C(C(C1OC(OC1)(C)C)O)(F)F)OCC
Calculated Properties
JChem
Acid pKa
11.366341
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.9088835
LogD (pH = 7.4)
0.90883726
Log P
0.9088841
Molar Refractivity
52.8138
Polarizability
21.014221
Polar Surface Area
64.99
Rotatable Bonds
5
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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