Molecule

ID:99570

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁FO₅
Molecular Mass
182.1469432
Exact Mass
182.05905167
Charge
0
InChI
InChI=1S/C6H11FO5/c7-3-4(9)2(1-8)12-6(11)5(3)10/h2-6,8-11H,1H2
InChIKey
BUMRBAMACDBPKO-UHFFFAOYSA-N
Canonic Smiles
OCC1OC(O)C(C(C1O)F)O
Isomeric Smiles
O1C(O)C(O)C(F)C(C1CO)O
Calculated Properties
JChem
Acid pKa
11.255882
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-2.041448
LogD (pH = 7.4)
-2.041508
Log P
-2.0414474
Molar Refractivity
34.2313
Polarizability
14.34486
Polar Surface Area
90.15
Rotatable Bonds
1
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
References
Bioactivity
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