Molecule

ID:99255

General Information
Structure
MolImage
Molecular Formula
C₁₂CuF₁₀S₂
Molecular Mass
461.788432
Exact Mass
460.8577717
Charge
0
InChI
InChI=1S/2C6HF5S.Cu/c2*7-1-2(8)4(10)6(12)5(11)3(1)9;/h2*12H;/q;;+2/p-2
InChIKey
IITDLIATLZTNTC-UHFFFAOYSA-L
Canonic Smiles
Fc1c(S[Cu]Sc2c(F)c(F)c(c(c2F)F)F)c(F)c(c(c1F)F)F
Isomeric Smiles
S(c1c(c(c(c(c1F)F)F)F)F)[Cu]Sc1c(c(c(c(c1F)F)F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.5628
LogD (pH = 7.4)
5.5628
Log P
5.5628
Molar Refractivity
64.6242
Polarizability
27.945045
Polar Surface Area
0.0
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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