Molecule
ID:93199
General Information
Molecular Formula
C₆H₂F₆O
Molecular Mass
204.0698992
Exact Mass
204.000984
Charge
0
InChI
InChI=1S/C6H2F6O/c7-5(8,9)3-1-2-4(13-3)6(10,11)12/h1-2H
InChIKey
ULGLWGFLVRSWIF-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc(o1)C(F)(F)F)(F)F
Isomeric Smiles
o1c(ccc1C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.7091906
LogD (pH = 7.4)
2.7091906
Log P
2.7091906
Molar Refractivity
30.2738
Polarizability
10.618785
Polar Surface Area
13.14
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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