Molecule

ID:9550

General Information
Structure
MolImage
Molecular Formula
C₈H₂F₈O
Molecular Mass
266.0881056
Exact Mass
265.99779044
Charge
0
InChI
InChI=1S/C8H2F8O/c9-2-3(10)5(12)7(6(13)4(2)11)17-1-8(14,15)16/h1H2
InChIKey
MCVAIMHKNJBNTQ-UHFFFAOYSA-N
Canonic Smiles
Fc1c(OCC(F)(F)F)c(F)c(c(c1F)F)F
Isomeric Smiles
c1(c(c(c(c(c1F)F)F)F)F)OCC(F)(F)F
Calculated Properties
JChem
Acid pKa
19.85339
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4841805
LogD (pH = 7.4)
3.4841805
Log P
3.4841805
Molar Refractivity
39.0533
Polarizability
14.040389
Polar Surface Area
9.23
Rotatable Bonds
3
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
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References
Bioactivity
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