Molecule
ID:95099
General Information
Molecular Formula
C₈H₇F₉O₂
Molecular Mass
306.1256088
Exact Mass
306.03023344
Charge
0
InChI
InChI=1S/C8H7F9O2/c1-3(2)4(18)19-5(6(9,10)11,7(12,13)14)8(15,16)17/h3H,1-2H3
InChIKey
SYZHJJUWVLPDLN-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C
Isomeric Smiles
O(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(=O)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.014895
LogD (pH = 7.4)
4.014895
Log P
4.014895
Molar Refractivity
42.5243
Polarizability
15.983863
Polar Surface Area
26.3
Rotatable Bonds
6
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
No Data Available
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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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