Molecule

ID:64389

General Information
Structure
MolImage
Molecular Formula
C₁₇H₃₀ClNSn
Molecular Mass
402.5808
Exact Mass
403.10887165
Charge
0
InChI
InChI=1S/C5H3ClN.3C4H9.Sn/c6-5-2-1-3-7-4-5;3*1-3-4-2;/h1-3H;3*1,3-4H2,2H3;
InChIKey
UPSIWQDIUJUACS-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1ncccc1Cl)(CCCC)CCCC
Isomeric Smiles
c1([Sn](CCCC)(CCCC)CCCC)ncccc1Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.005034
LogD (pH = 7.4)
5.035201
Log P
5.0356
Molar Refractivity
86.8514
Polarizability
38.75997
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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