Molecule

ID:65122

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₈ClNSSn
Molecular Mass
408.60852
Exact Mass
409.06529258
Charge
0
InChI
InChI=1S/3C4H9.C3HClNS.Sn/c3*1-3-4-2;4-3-5-1-2-6-3;/h3*1,3-4H2,2H3;2H;
InChIKey
RYIOHYRNPZHDLV-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1csc(n1)Cl)(CCCC)CCCC
Isomeric Smiles
s1cc(nc1Cl)[Sn](CCCC)(CCCC)CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.2793503
LogD (pH = 7.4)
5.2793994
Log P
5.2794
Molar Refractivity
84.4378
Polarizability
37.627594
Polar Surface Area
12.89
Rotatable Bonds
10
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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