Molecule

ID:64724

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₁N₃Sn
Molecular Mass
408.15984
Exact Mass
409.15399201
Charge
0
InChI
InChI=1S/C6H4N3.3C4H9.Sn/c1-2-4-9-6(3-1)7-5-8-9;3*1-3-4-2;/h1,3-5H;3*1,3-4H2,2H3;
InChIKey
LENLQGBLVGGAMF-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1ccc2n(c1)ncn2)(CCCC)CCCC
Isomeric Smiles
c1c(cn2c(c1)ncn2)[Sn](CCCC)(CCCC)CCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.4653177
LogD (pH = 7.4)
4.466189
Log P
4.4662
Molar Refractivity
102.5837
Polarizability
39.83617
Polar Surface Area
30.19
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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