Molecule

ID:65161

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₉ClN₂SSn
Molecular Mass
459.65526
Exact Mass
460.07619162
Charge
0
InChI
InChI=1S/C6H2ClN2S.3C4H9.Sn/c7-6-5-4(1-2-10-5)8-3-9-6;3*1-3-4-2;/h1,3H;3*1,3-4H2,2H3;
InChIKey
XVCDIZWEKFUGJW-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1cc2c(s1)c(Cl)ncn2)(CCCC)CCCC
Isomeric Smiles
c1nc(c2c(n1)cc(s2)[Sn](CCCC)(CCCC)CCCC)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.9557986
LogD (pH = 7.4)
4.9558
Log P
4.9558
Molar Refractivity
98.5484
Polarizability
44.133137
Polar Surface Area
25.78
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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