Molecule

ID:100770

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃FO₅
Molecular Mass
196.1735232
Exact Mass
196.07470174
Charge
0
InChI
InChI=1S/C7H13FO5/c1-10-6(9)5(8)7(11-2,12-3)13-4/h5H,1-4H3
InChIKey
OCVWVNNAUUPJJH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C(OC)(OC)OC)F
Isomeric Smiles
O(C)C(OC)(C(F)C(=O)OC)OC
Calculated Properties
JChem
Acid pKa
15.69043
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.70164543
LogD (pH = 7.4)
0.70164543
Log P
0.70164543
Molar Refractivity
41.0938
Polarizability
16.476315
Polar Surface Area
53.99
Rotatable Bonds
6
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
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Molecule Details
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References
Bioactivity
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