Molecule

ID:94084

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀BeF₆O₅
Molecular Mass
333.1860012
Exact Mass
333.05542494
Charge
0
InChI
InChI=1S/2C5H5F3O2.Be.H2O/c2*1-3(9)2-4(10)5(6,7)8;;/h2*2,9H,1H3;;1H2/q;;+2;/p-2
InChIKey
HAHBQRRXGIHREI-UHFFFAOYSA-L
Canonic Smiles
C/C(=C\C(=O)C(F)(F)F)/O[Be]O/C(=C/C(=O)C(F)(F)F)/C.O
Isomeric Smiles
FC(C(=O)/C=C(/O[Be]O/C(=C/C(=O)C(F)(F)F)/C)\C)(F)F.O
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.9272
LogD (pH = 7.4)
2.9272
Log P
2.9272
Molar Refractivity
56.8702
Polarizability
21.119547
Polar Surface Area
52.6
Rotatable Bonds
8
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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