Molecule

ID:64800

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₃NSn
Molecular Mass
382.16232
Exact Mass
383.16349406
Charge
0
InChI
InChI=1S/C6H6N.3C4H9.Sn/c1-6-2-4-7-5-3-6;3*1-3-4-2;/h2,4-5H,1H3;3*1,3-4H2,2H3;
InChIKey
YSTITYJVFYFDAW-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1cnccc1C)(CCCC)CCCC
Isomeric Smiles
c1cncc(c1C)[Sn](CCCC)(CCCC)CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.712377
LogD (pH = 7.4)
4.266394
Log P
4.2862
Molar Refractivity
86.7743
Polarizability
38.59382
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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