Molecule

ID:64154

General Information
Structure
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;/h2-3H;3*1,3-4H2,2H3;
InChIKey
JEHJKYNDOIGAEA-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1cnc(nc1)Cl)(CCCC)CCCC
Isomeric Smiles
c1(ncc([Sn](CCCC)(CCCC)CCCC)cn1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8680997
LogD (pH = 7.4)
3.8681
Log P
3.8681
Molar Refractivity
86.0529
Polarizability
38.028618
Polar Surface Area
25.78
Rotatable Bonds
10
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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