Molecule

ID:65145

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₉BrClNSn
Molecular Mass
481.47686
Exact Mass
481.01938361
Charge
0
InChI
InChI=1S/C5H2BrClN.3C4H9.Sn/c6-4-1-2-5(7)8-3-4;3*1-3-4-2;/h2-3H;3*1,3-4H2,2H3;
InChIKey
BJWFKRKFGNAZCP-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1cc(Cl)ncc1Br)(CCCC)CCCC
Isomeric Smiles
c1(cnc(cc1[Sn](CCCC)(CCCC)CCCC)Cl)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.4995
LogD (pH = 7.4)
5.4995
Log P
5.4995
Molar Refractivity
95.222
Polarizability
41.713238
Polar Surface Area
12.89
Rotatable Bonds
10
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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