Molecule

ID:9481

General Information
Structure
Molecular Formula
C₉H₃F₁₅O₂
Molecular Mass
428.094968
Exact Mass
427.98935264
Charge
0
InChI
InChI=1S/C9H3F15O2/c1-26-2(25)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h1H3
InChIKey
XOCNYZFAMHDXJK-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
O=C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.2587333
LogD (pH = 7.4)
5.2587333
Log P
5.2587333
Molar Refractivity
46.431
Polarizability
18.44746
Polar Surface Area
26.3
Rotatable Bonds
8
Lipinski's Rule of Five
false
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
References
Bioactivity
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