Molecule

ID:64238

General Information
Structure
MolImage
Molecular Formula
C₁₇H₃₂N₂OSn
Molecular Mass
399.14978
Exact Mass
400.15365765
Charge
0
InChI
InChI=1S/C5H5N2O.3C4H9.Sn/c1-8-5-4-6-2-3-7-5;3*1-3-4-2;/h2-3H,1H3;3*1,3-4H2,2H3;
InChIKey
MEKPDHIMYRRQFX-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1nccnc1OC)(CCCC)CCCC
Isomeric Smiles
c1(c(nccn1)OC)[Sn](CCCC)(CCCC)CCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.6515636
LogD (pH = 7.4)
3.6515996
Log P
3.6516
Molar Refractivity
86.6664
Polarizability
38.526722
Polar Surface Area
35.01
Rotatable Bonds
11
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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