Molecule

ID:64769

General Information
Structure
MolImage
Molecular Formula
C₁₇H₃₀BrNSn
Molecular Mass
447.0318
Exact Mass
447.05835597
Charge
0
InChI
InChI=1S/C5H3BrN.3C4H9.Sn/c6-5-3-1-2-4-7-5;3*1-3-4-2;/h1-3H;3*1,3-4H2,2H3;
InChIKey
ZRPIKMNUVOBWBE-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1cccc(n1)Br)(CCCC)CCCC
Isomeric Smiles
c1c(nc(cc1)Br)[Sn](CCCC)(CCCC)CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.706393
LogD (pH = 7.4)
5.7068934
Log P
5.7069
Molar Refractivity
90.5116
Polarizability
39.75022
Polar Surface Area
12.89
Rotatable Bonds
10
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
No Data Available
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Molecule Details
References
Bioactivity
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