Molecule

ID:8861

General Information
Structure
MolImage
Molecular Formula
C₁₃F₁₀O
Molecular Mass
362.122532
Exact Mass
361.97894682
Charge
0
InChI
InChI=1S/C13F10O/c14-3-1(4(15)8(19)11(22)7(3)18)13(24)2-5(16)9(20)12(23)10(21)6(2)17
InChIKey
WWQLXRAKBJVNCC-UHFFFAOYSA-N
Canonic Smiles
O=C(c1c(F)c(F)c(c(c1F)F)F)c1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
c1(c(c(c(c(c1F)F)F)F)F)C(=O)c1c(c(c(c(c1F)F)F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.859618
LogD (pH = 7.4)
4.859618
Log P
4.859618
Molar Refractivity
58.7975
Polarizability
20.656492
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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