Molecule

ID:64381

General Information
Structure
MolImage
Molecular Formula
C₃₄H₄₄N₂Sn
Molecular Mass
599.42756
Exact Mass
600.25264342
Charge
0
InChI
InChI=1S/C22H17N2.3C4H9.Sn/c1-4-10-19(11-5-1)22(24-17-16-23-18-24,20-12-6-2-7-13-20)21-14-8-3-9-15-21;3*1-3-4-2;/h1-15,17-18H;3*1,3-4H2,2H3;
InChIKey
WGZVQAZCALOGIM-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1)(CCCC)CCCC
Isomeric Smiles
n1(cc(nc1)[Sn](CCCC)(CCCC)CCCC)C(c1ccccc1)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
7.4710927
LogD (pH = 7.4)
8.615545
Log P
8.918
Molar Refractivity
157.1052
Polarizability
65.039444
Polar Surface Area
17.82
Rotatable Bonds
14
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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