Molecule

ID:112210

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂O₂SSn
Molecular Mass
337.05718
Exact Mass
338.03624494
Charge
0
InChI
InChI=1S/2C4H9.C3H6O2S.Sn/c2*1-3-4-2;4-3(5)1-2-6;/h2*1,3-4H2,2H3;6H,1-2H2,(H,4,5);/q;;;+2/p-2
InChIKey
IRIAEMUUDSWZOX-UHFFFAOYSA-L
Canonic Smiles
CCCC[Sn]1(CCCC)SCCC(=O)O1
Isomeric Smiles
CCCC[Sn]1(CCCC)OC(=O)CCS1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6371
LogD (pH = 7.4)
3.6371
Log P
3.6371
Molar Refractivity
62.8748
Polarizability
29.5828
Polar Surface Area
26.3
Rotatable Bonds
6
Lipinski's Rule of Five
true
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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