Molecule

ID:98678

General Information
Structure
MolImage
Molecular Formula
C₁₀F₁₈
Molecular Mass
462.0782576
Exact Mass
461.97125796
Charge
0
InChI
InChI=1S/C10F18/c11-1-2(12,5(17,18)9(25,26)7(21,22)3(1,13)14)6(19,20)10(27,28)8(23,24)4(1,15)16/t1-,2-
InChIKey
UWEYRJFJVCLAGH-IJWZVTFUSA-N
Canonic Smiles
F[C@]12[C@](F)(C(F)(F)C(C(C2(F)F)(F)F)(F)F)C(F)(F)C(C(C1(F)F)(F)F)(F)F
Isomeric Smiles
FC1(C([C@]2(F)C(C(F)(C(C([C@@]2(F)C(C1(F)F)(F)F)(F)F)(F)F)F)(F)F)(F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.802668
LogD (pH = 7.4)
5.802668
Log P
5.802668
Molar Refractivity
43.695
Polarizability
18.245485
Polar Surface Area
0.0
Rotatable Bonds
0
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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