Molecule

ID:111511

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₆OSn
Molecular Mass
367.02004
Exact Mass
368.02230913
Charge
0
InChI
InChI=1S/3C6H5.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H2;/q;;;;+1/p-1
InChIKey
BFWMWWXRWVJXSE-UHFFFAOYSA-M
Canonic Smiles
O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
Isomeric Smiles
O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
8.4925585
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.6099608
LogD (pH = 7.4)
2.5768435
Log P
2.6104
Molar Refractivity
78.9875
Polarizability
35.43599
Polar Surface Area
20.23
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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