Molecule

ID:64457

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₄N₂O₂Sn
Molecular Mass
429.17576
Exact Mass
430.16422234
Charge
0
InChI
InChI=1S/C6H7N2O2.3C4H9.Sn/c1-7-4-3-5(9)8(2)6(7)10;3*1-3-4-2;/h4H,1-2H3;3*1,3-4H2,2H3;
InChIKey
PLNLBEKHCPZVOS-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1cn(C)c(=O)n(c1=O)C)(CCCC)CCCC
Isomeric Smiles
n1(c(=O)c(cn(c1=O)C)[Sn](CCCC)(CCCC)CCCC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.4119
LogD (pH = 7.4)
6.4119
Log P
6.4119
Molar Refractivity
93.5812
Polarizability
40.74564
Polar Surface Area
40.62
Rotatable Bonds
10
Lipinski's Rule of Five
false
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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