Molecule

ID:64216

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₈BrNSSn
Molecular Mass
453.05952
Exact Mass
453.0147769
Charge
0
InChI
InChI=1S/3C4H9.C3HBrNS.Sn/c3*1-3-4-2;4-3-1-6-2-5-3;/h3*1,3-4H2,2H3;1H;
InChIKey
ZBBDCVVDIHDNRL-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1scc(n1)Br)(CCCC)CCCC
Isomeric Smiles
n1c(scc1Br)[Sn](CCCC)(CCCC)CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.5799356
LogD (pH = 7.4)
5.579999
Log P
5.58
Molar Refractivity
87.0367
Polarizability
38.563538
Polar Surface Area
12.89
Rotatable Bonds
10
Lipinski's Rule of Five
false
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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