Molecule

ID:89609

General Information
Structure
Molecular Formula
C₁₈H₃₁ClSn
Molecular Mass
401.59274
Exact Mass
402.11362267
Charge
0
InChI
InChI=1S/C6H4Cl.3C4H9.Sn/c7-6-4-2-1-3-5-6;3*1-3-4-2;/h2-5H;3*1,3-4H2,2H3;
InChIKey
GZJNLVYEAQGOSJ-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1ccc(cc1)Cl)(CCCC)CCCC
Isomeric Smiles
[Sn](c1ccc(cc1)Cl)(CCCC)(CCCC)CCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.6489
LogD (pH = 7.4)
5.6489
Log P
5.6489
Molar Refractivity
88.6948
Polarizability
39.610283
Polar Surface Area
0.0
Rotatable Bonds
10
Lipinski's Rule of Five
false
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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