Molecule

ID:65115

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₉ClN₂Sn
Molecular Mass
403.56886
Exact Mass
404.10412062
Charge
0
InChI
InChI=1S/C4H2ClN2.3C4H9.Sn/c5-4-6-2-1-3-7-4;3*1-3-4-2;/h1-2H;3*1,3-4H2,2H3;
InChIKey
RYGIFHOTRLEMGG-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1ccnc(n1)Cl)(CCCC)CCCC
Isomeric Smiles
n1c(nccc1[Sn](CCCC)(CCCC)CCCC)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.5666995
LogD (pH = 7.4)
4.5667
Log P
4.5667
Molar Refractivity
86.3664
Polarizability
38.02832
Polar Surface Area
25.78
Rotatable Bonds
10
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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