Molecule

ID:89598

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₃NSn
Molecular Mass
382.16232
Exact Mass
383.16349406
Charge
0
InChI
InChI=1S/C6H6N.3C4H9.Sn/c7-6-4-2-1-3-5-6;3*1-3-4-2;/h2-5H,7H2;3*1,3-4H2,2H3;
InChIKey
FMDJOKUDYCJLGL-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1ccc(cc1)N)(CCCC)CCCC
Isomeric Smiles
[Sn](c1ccc(cc1)N)(CCCC)(CCCC)CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.30079
LogD (pH = 7.4)
4.347077
Log P
4.3477
Molar Refractivity
88.5904
Polarizability
38.86375
Polar Surface Area
26.02
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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