Molecule

ID:98638

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉F₉O₂
Molecular Mass
332.1628888
Exact Mass
332.04588351
Charge
0
InChI
InChI=1S/C10H9F9O2/c1-5(2)6(20)21-4-3-7(11,12)8(13,14)9(15,16)10(17,18)19/h1,3-4H2,2H3
InChIKey
TYNRPOFACABVSI-UHFFFAOYSA-N
Canonic Smiles
O=C(C(=C)C)OCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
O(C(=O)C(=C)C)CCC(C(F)(C(F)(F)C(F)(F)F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.6350527
LogD (pH = 7.4)
4.6350527
Log P
4.6350527
Molar Refractivity
50.3235
Polarizability
19.055462
Polar Surface Area
26.3
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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