Molecule

ID:99571

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁FO₅
Molecular Mass
182.1469432
Exact Mass
182.05905167
Charge
0
InChI
InChI=1S/C6H11FO5/c7-5(3(10)1-8)6(12)4(11)2-9/h2-6,8,10-12H,1H2/t3-,4+,5+,6-/m1/s1
InChIKey
GCEGLMFBNPWYQO-DPYQTVNSSA-N
Canonic Smiles
OC[C@H]([C@@H]([C@@H]([C@H](C=O)O)O)F)O
Isomeric Smiles
O=C[C@@H]([C@H]([C@H]([C@@H](CO)O)F)O)O
Calculated Properties
JChem
Acid pKa
11.298033
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-2.6772695
LogD (pH = 7.4)
-2.6773236
Log P
-2.6772687
Molar Refractivity
35.6535
Polarizability
14.437775
Polar Surface Area
97.99
Rotatable Bonds
5
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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