Molecule

ID:65208

General Information
Structure
MolImage
Molecular Formula
C₂₂H₄₃NO₂Sn
Molecular Mass
472.28332
Exact Mass
473.23157362
Charge
0
InChI
InChI=1S/C10H16NO2.3C4H9.Sn/c1-10(2,3)13-9(12)11-7-5-4-6-8-11;3*1-3-4-2;/h5H,6-8H2,1-3H3;3*1,3-4H2,2H3;
InChIKey
DFXDFQGKKJGPND-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](C1=CCN(CC1)C(=O)OC(C)(C)C)(CCCC)CCCC
Isomeric Smiles
C1N(CC=C(C1)[Sn](CCCC)(CCCC)CCCC)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.7198
LogD (pH = 7.4)
6.7198
Log P
6.7198
Molar Refractivity
110.6469
Polarizability
47.51426
Polar Surface Area
29.54
Rotatable Bonds
12
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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