Molecule

ID:90197

General Information
Structure
MolImage
Molecular Formula
C₂₁H₃₈N₂OSn
Molecular Mass
453.24022
Exact Mass
454.20060785
Charge
0
InChI
InChI=1S/C9H11N2O.3C4H9.Sn/c1-2-4-10-9(3-1)11-5-7-12-8-6-11;3*1-3-4-2;/h1-3H,5-8H2;3*1,3-4H2,2H3;
InChIKey
LDERBIPTTICDSG-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1cccc(n1)N1CCOCC1)(CCCC)CCCC
Isomeric Smiles
n1c(cccc1N1CCOCC1)[Sn](CCCC)(CCCC)CCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.2565544
LogD (pH = 7.4)
4.7994237
Log P
5.138
Molar Refractivity
105.8632
Polarizability
45.329494
Polar Surface Area
25.36
Rotatable Bonds
11
Lipinski's Rule of Five
false
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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