Molecule

ID:64390

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;/h2-4H;3*1,3-4H2,2H3;
InChIKey
GGSUJOOLZJBTEQ-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1cncc(c1)Cl)(CCCC)CCCC
Isomeric Smiles
c1(cc(Cl)cnc1)[Sn](CCCC)(CCCC)CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.3318553
LogD (pH = 7.4)
4.3369346
Log P
4.337
Molar Refractivity
86.5379
Polarizability
38.764347
Polar Surface Area
12.89
Rotatable Bonds
10
Lipinski's Rule of Five
true
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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