Molecule

ID:89607

General Information
Structure
Molecular Formula
C₂₃H₄₁NOSn
Molecular Mass
466.27874
Exact Mass
467.22100894
Charge
0
InChI
InChI=1S/C11H14NO.3C4H9.Sn/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;3*1-3-4-2;/h2-5H,6-10H2;3*1,3-4H2,2H3;
InChIKey
PDCBOBKNKGLDOE-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1ccc(cc1)CN1CCOCC1)(CCCC)CCCC
Isomeric Smiles
[Sn](c1ccc(cc1)CN1CCOCC1)(CCCC)(CCCC)CCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.490365
LogD (pH = 7.4)
4.672309
Log P
4.6752
Molar Refractivity
111.5072
Polarizability
48.411636
Polar Surface Area
12.47
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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