Molecule

ID:12082

General Information
Structure
MolImage
Molecular Formula
C₆H₃F₁₁O
Molecular Mass
300.0698552
Exact Mass
300.00082514
Charge
0
InChI
InChI=1S/C6H3F11O/c7-2(8,1-18)3(9,10)4(11,12)5(13,14)6(15,16)17/h18H,1H2
InChIKey
QZFZPVVDBGXQTB-UHFFFAOYSA-N
Canonic Smiles
OCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O
Calculated Properties
JChem
Acid pKa
12.621077
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.23909
LogD (pH = 7.4)
3.2390873
Log P
3.23909
Molar Refractivity
32.3834
Polarizability
12.666731
Polar Surface Area
20.23
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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