Molecule

ID:64492

General Information
Structure
MolImage
Molecular Formula
C₁₇H₃₄N₂Sn
Molecular Mass
385.16626
Exact Mass
386.1743931
Charge
0
InChI
InChI=1S/C5H7N2.3C4H9.Sn/c1-5-6-3-4-7(5)2;3*1-3-4-2;/h3H,1-2H3;3*1,3-4H2,2H3;
InChIKey
CWAPIHCLJCNFTN-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1cnc(n1C)C)(CCCC)CCCC
Isomeric Smiles
c1(n(c(nc1)C)C)[Sn](CCCC)(CCCC)CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0602603
LogD (pH = 7.4)
2.8270671
Log P
3.3088
Molar Refractivity
85.4355
Polarizability
38.099655
Polar Surface Area
17.82
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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