Molecule

ID:64267

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;1H;
InChIKey
ZXCCAZVZCUGOQU-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1cnc(s1)Cl)(CCCC)CCCC
Isomeric Smiles
s1c(cnc1Cl)[Sn](CCCC)(CCCC)CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.505281
LogD (pH = 7.4)
4.5052996
Log P
4.5053
Molar Refractivity
83.2842
Polarizability
37.625828
Polar Surface Area
12.89
Rotatable Bonds
10
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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