Molecule

ID:89600

General Information
Structure
Molecular Formula
C₂₉H₅₇NSn₂
Molecular Mass
657.17158
Exact Mass
659.25348883
Charge
0
InChI
InChI=1S/C5H3N.6C4H9.2Sn/c1-2-4-6-5-3-1;6*1-3-4-2;;/h1-3H;6*1,3-4H2,2H3;;
InChIKey
PNEFCJWCBXZDMO-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1cccc(n1)[Sn](CCCC)(CCCC)CCCC)(CCCC)CCCC
Isomeric Smiles
[Sn](c1nc(ccc1)[Sn](CCCC)(CCCC)CCCC)(CCCC)(CCCC)CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.584457
LogD (pH = 7.4)
8.059333
Log P
8.3005
Molar Refractivity
140.1921
Polarizability
64.28331
Polar Surface Area
12.89
Rotatable Bonds
20
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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