Molecule

ID:101393

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₉NO₂Sn
Molecular Mass
468.25156
Exact Mass
469.20027349
Charge
0
InChI
InChI=1S/C10H12NO2.3C4H9.Sn/c1-2-6-11-10(3-1)13-9-4-7-12-8-5-9;3*1-3-4-2;/h1-3,9H,4-5,7-8H2;3*1,3-4H2,2H3;
InChIKey
TYKSDTUCXMRYNR-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1cccc(n1)OC1CCOCC1)(CCCC)CCCC
Isomeric Smiles
n1c([Sn](CCCC)(CCCC)CCCC)cccc1OC1CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.7826643
LogD (pH = 7.4)
4.795533
Log P
4.7957
Molar Refractivity
107.2988
Polarizability
46.719807
Polar Surface Area
31.35
Rotatable Bonds
12
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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