Molecule

ID:64383

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₃NOSn
Molecular Mass
398.16172
Exact Mass
399.15840868
Charge
0
InChI
InChI=1S/C6H6NO.3C4H9.Sn/c1-8-6-4-2-3-5-7-6;3*1-3-4-2;/h2,4-5H,1H3;3*1,3-4H2,2H3;
InChIKey
AQCIPEPGPSRRJQ-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1ccc(nc1)OC)(CCCC)CCCC
Isomeric Smiles
n1c(ccc([Sn](CCCC)(CCCC)CCCC)c1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.2622976
LogD (pH = 7.4)
4.2648673
Log P
4.2649
Molar Refractivity
88.5098
Polarizability
39.380722
Polar Surface Area
22.12
Rotatable Bonds
11
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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