Molecule

ID:89604

General Information
Structure
Molecular Formula
C₂₃H₄₂N₂Sn
Molecular Mass
465.29398
Exact Mass
466.23699335
Charge
0
InChI
InChI=1S/C11H15N2.3C4H9.Sn/c1-12-7-9-13(10-8-12)11-5-3-2-4-6-11;3*1-3-4-2;/h3-6H,7-10H2,1H3;3*1,3-4H2,2H3;
InChIKey
CQCNLWRKXQBKNU-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1ccc(cc1)N1CCN(CC1)C)(CCCC)CCCC
Isomeric Smiles
[Sn](c1ccc(cc1)N1CCN(CC1)C)(CCCC)(CCCC)CCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7383418
LogD (pH = 7.4)
4.518631
Log P
5.1966
Molar Refractivity
114.3687
Polarizability
48.854652
Polar Surface Area
6.48
Rotatable Bonds
11
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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