Molecule

ID:64228

General Information
Structure
MolImage
Molecular Formula
C₁₇H₃₃NOSn
Molecular Mass
386.15102
Exact Mass
387.15840868
Charge
0
InChI
InChI=1S/C5H6NO.3C4H9.Sn/c1-4-3-5(2)7-6-4;3*1-3-4-2;/h1-2H3;3*1,3-4H2,2H3;
InChIKey
PKYSINBSZIXTHF-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1c(C)noc1C)(CCCC)CCCC
Isomeric Smiles
c1(c(onc1C)C)[Sn](CCCC)(CCCC)CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.8206701
LogD (pH = 7.4)
3.8207984
Log P
3.8208
Molar Refractivity
85.0732
Polarizability
37.30497
Polar Surface Area
26.03
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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