Molecule

ID:127410

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₈O₂Sn
Molecular Mass
409.05672
Exact Mass
410.03287382
Charge
0
InChI
InChI=1S/3C6H5.C2H4O2.Sn/c3*1-2-4-6-5-3-1;1-2(3)4;/h3*1-5H;1H3,(H,3,4);/q;;;;+1/p-1
InChIKey
WDQNIWFZKXZFAY-UHFFFAOYSA-M
Canonic Smiles
c1ccc(cc1)[Sn+](c1ccccc1)c1ccccc1.[O-]C(=O)C
Isomeric Smiles
[O-]C(=O)C.c1c([Sn+](c2ccccc2)c2ccccc2)cccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.3066
LogD (pH = 7.4)
4.3066
Log P
4.3066
Molar Refractivity
76.4229
Polarizability
34.424286
Polar Surface Area
0.0
Rotatable Bonds
3
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
References
Bioactivity
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