Molecule

ID:89603

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₉NOSn
Molecular Mass
452.25216
Exact Mass
453.20535887
Charge
0
InChI
InChI=1S/C10H12NO.3C4H9.Sn/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;3*1-3-4-2;/h2-5H,6-9H2;3*1,3-4H2,2H3;
InChIKey
VIPDIXBRZHVCRF-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1ccc(cc1)N1CCOCC1)(CCCC)CCCC
Isomeric Smiles
[Sn](c1ccc(cc1)N1CCOCC1)(CCCC)(CCCC)CCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.0526476
LogD (pH = 7.4)
5.0526996
Log P
5.0527
Molar Refractivity
107.3931
Polarizability
46.20063
Polar Surface Area
12.47
Rotatable Bonds
11
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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