Molecule
ID:9477
General Information
Molecular Formula
C₁₀H₃F₁₇O₂
Molecular Mass
478.1024744
Exact Mass
477.98615908
Charge
0
InChI
InChI=1S/C10H3F17O2/c1-29-2(28)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1H3
InChIKey
CFNCFMKWDPDIPT-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(C(C(C(C(C(C(C(C(=O)OC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.959376
LogD (pH = 7.4)
5.959376
Log P
5.959376
Molar Refractivity
51.099
Polarizability
20.360746
Polar Surface Area
26.3
Rotatable Bonds
9
Lipinski's Rule of Five
false
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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