Molecule

ID:65177

General Information
Structure
MolImage
Molecular Formula
C₂₁H₃₃NSn
Molecular Mass
418.19442
Exact Mass
419.16349406
Charge
0
InChI
InChI=1S/C9H6N.3C4H9.Sn/c1-2-4-9-7-10-6-5-8(9)3-1;3*1-3-4-2;/h2-7H;3*1,3-4H2,2H3;
InChIKey
FYLJBVOUFKVZJW-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1ccc2c(c1)ccnc2)(CCCC)CCCC
Isomeric Smiles
c1ncc2c(c1)cc(cc2)[Sn](CCCC)(CCCC)CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.613513
LogD (pH = 7.4)
4.8176565
Log P
4.8212
Molar Refractivity
98.1833
Polarizability
44.302242
Polar Surface Area
12.89
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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