Molecule

ID:64156

General Information
Structure
MolImage
Molecular Formula
C₁₇H₃₂N₂O₂SSn
Molecular Mass
447.21418
Exact Mass
448.12064327
Charge
0
InChI
InChI=1S/C5H5N2O2S.3C4H9.Sn/c1-10(8,9)5-6-3-2-4-7-5;3*1-3-4-2;/h3-4H,1H3;3*1,3-4H2,2H3;
InChIKey
RRHTVQOGUAOHDR-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1cnc(nc1)S(=O)(=O)C)(CCCC)CCCC
Isomeric Smiles
S(=O)(=O)(c1ncc([Sn](CCCC)(CCCC)CCCC)cn1)C
Calculated Properties
JChem
Acid pKa
19.071392
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.4498
LogD (pH = 7.4)
2.4498
Log P
2.4498
Molar Refractivity
94.5039
Polarizability
42.070988
Polar Surface Area
59.92
Rotatable Bonds
11
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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