Molecule

ID:127441

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁FO₅
Molecular Mass
181.149478
Exact Mass
181.06158645
Charge
0
InChI
InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2?,3-,4-,5-,6?/m1/s1/i7-1
InChIKey
ZCXUVYAZINUVJD-LLSCIWEVSA-N
Canonic Smiles
OCC1OC(O)[C@@H]([C@H]([C@@H]1O)O)[18F]
Isomeric Smiles
OCC1OC(O)[C@H]([18F])[C@@H](O)[C@@H]1O
Calculated Properties
JChem
Acid pKa
11.021989
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-2.0414488
LogD (pH = 7.4)
-2.041551
Log P
-2.0414474
Molar Refractivity
34.2313
Polarizability
14.345064
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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