Molecule

ID:77653

General Information
Structure
MolImage
Molecular Formula
C₁₇H₃₂N₂OSSn
Molecular Mass
431.21478
Exact Mass
432.12572865
Charge
0
InChI
InChI=1S/C5H5N2OS.3C4H9.Sn/c1-4(8)7-5-6-2-3-9-5;3*1-3-4-2;/h2H,1H3,(H,6,7,8);3*1,3-4H2,2H3;
InChIKey
BYHZPVZFUMGIIF-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1cnc(s1)NC(=O)C)(CCCC)CCCC
Isomeric Smiles
n1c(NC(=O)C)sc(c1)[Sn](CCCC)(CCCC)CCCC
Calculated Properties
JChem
Acid pKa
10.844386
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.6406953
LogD (pH = 7.4)
3.6405478
Log P
3.6407
Molar Refractivity
92.5946
Polarizability
40.52231
Polar Surface Area
41.99
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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