Molecule

ID:99569

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁FO₅
Molecular Mass
182.1469432
Exact Mass
182.05905167
Charge
0
InChI
InChI=1S/C6H11FO5/c7-3(1-8)5(11)6(12)4(10)2-9/h1,3-6,9-12H,2H2/t3-,4+,5+,6-/m1/s1
InChIKey
AOYNUTHNTBLRMT-DPYQTVNSSA-N
Canonic Smiles
OC[C@@H]([C@H]([C@H]([C@@H](C=O)F)O)O)O
Isomeric Smiles
O=C[C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)F
Calculated Properties
JChem
Acid pKa
8.091542
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-2.6783788
LogD (pH = 7.4)
-2.7576194
Log P
-2.6772687
Molar Refractivity
35.6535
Polarizability
14.438193
Polar Surface Area
97.99
Rotatable Bonds
5
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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