Molecule

ID:65123

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₅NOSSn
Molecular Mass
432.2426
Exact Mass
433.14612975
Charge
0
InChI
InChI=1S/C6H8NOS.3C4H9.Sn/c1-6(2,8)5-7-3-4-9-5;3*1-3-4-2;/h3,8H,1-2H3;3*1,3-4H2,2H3;
InChIKey
ZAODTINPWPONIT-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1cnc(s1)C(O)(C)C)(CCCC)CCCC
Isomeric Smiles
s1c(C(O)(C)C)ncc1[Sn](CCCC)(CCCC)CCCC
Calculated Properties
JChem
Acid pKa
13.439234
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.5727887
LogD (pH = 7.4)
3.5729969
Log P
3.573
Molar Refractivity
93.6084
Polarizability
41.727566
Polar Surface Area
33.12
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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