Molecule

ID:97027

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂F₁₂MnO₄
Molecular Mass
469.0393674
Exact Mass
468.91419228
Charge
0
InChI
InChI=1S/2C5H2F6O2.Mn/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;/h2*1,12H;/q;;+2/p-2
InChIKey
CFMUSUSAXOVNOD-UHFFFAOYSA-L
Canonic Smiles
O=C(C(F)(F)F)/C=C(\C(F)(F)F)/O[Mn]O/C(=C\C(=O)C(F)(F)F)/C(F)(F)F
Isomeric Smiles
FC(F)(C(=O)/C=C(\C(F)(F)F)/O[Mn]O/C(=C\C(=O)C(F)(F)F)/C(F)(F)F)F
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.7422
LogD (pH = 7.4)
3.7422
Log P
3.7422
Molar Refractivity
58.2732
Polarizability
23.396788
Polar Surface Area
52.6
Rotatable Bonds
10
Lipinski's Rule of Five
true
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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