Molecule

ID:96970

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀F₂O₄
Molecular Mass
184.1380064
Exact Mass
184.05471524
Charge
0
InChI
InChI=1S/C6H10F2O4/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,9-11H,1H2/t2-,3+,4+,5-,6-/m1/s1
InChIKey
QTIKECPWBXHCKM-FPRJBGLDSA-N
Canonic Smiles
FC[C@H]1O[C@@H](O)[C@@H]([C@H]([C@H]1F)O)O
Isomeric Smiles
F[C@@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CF)O)O)O
Calculated Properties
JChem
Acid pKa
11.295264
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.1503564
LogD (pH = 7.4)
-1.1504109
Log P
-1.1503557
Molar Refractivity
32.5392
Polarizability
13.555606
Polar Surface Area
69.92
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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