Molecule
ID:93563
General Information
Molecular Formula
C₆ClF₉O
Molecular Mass
294.5022288
Exact Mass
293.94939628
Charge
0
InChI
InChI=1S/C6ClF9O/c7-3(17)1(8)2(9)4(10,5(11,12)13)6(14,15)16
InChIKey
PYVIQEVVGYYAJJ-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)/C(=C(/C(C(F)(F)F)(C(F)(F)F)F)\F)/F
Isomeric Smiles
FC(C(C(F)(F)F)(F)/C(=C(/C(=O)Cl)\F)/F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6599908
LogD (pH = 7.4)
2.6599908
Log P
2.6599908
Molar Refractivity
37.6967
Polarizability
13.625768
Polar Surface Area
17.07
Rotatable Bonds
4
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
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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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