Molecule

ID:97008

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁FO₅
Molecular Mass
182.1469432
Exact Mass
182.05905167
Charge
0
InChI
InChI=1S/C6H11FO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1H2/t2-,3+,4-,5+,6?/m1/s1
InChIKey
SHFYXYMHVMDNPY-YIDFTEPTSA-N
Canonic Smiles
FC[C@H]1OC(O)[C@H]([C@@H]([C@H]1O)O)O
Isomeric Smiles
O1[C@@H]([C@@H]([C@H]([C@@H](C1O)O)O)O)CF
Calculated Properties
JChem
Acid pKa
11.29787
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-2.041448
LogD (pH = 7.4)
-2.0415022
Log P
-2.0414474
Molar Refractivity
34.2313
Polarizability
14.344319
Polar Surface Area
90.15
Rotatable Bonds
1
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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