Molecule

ID:7779

General Information
Structure
MolImage
Molecular Formula
C₉F₁₀
Molecular Mass
298.080332
Exact Mass
297.9840322
Charge
0
InChI
InChI=1S/C9F10/c10-2-1(9(18,19)7(15)8(16)17)3(11)5(13)6(14)4(2)12
InChIKey
WRHBYJDZKRNITP-UHFFFAOYSA-N
Canonic Smiles
FC(=C(C(c1c(F)c(F)c(c(c1F)F)F)(F)F)F)F
Isomeric Smiles
c1(c(c(c(c(c1F)C(C(=C(F)F)F)(F)F)F)F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.9959705
LogD (pH = 7.4)
3.9959705
Log P
3.9959705
Molar Refractivity
52.7517
Polarizability
14.841279
Polar Surface Area
0.0
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
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References
Bioactivity
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