Molecule

ID:65195

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₁NOSSn
Molecular Mass
404.18944
Exact Mass
405.11482962
Charge
0
InChI
InChI=1S/C4H4NOS.3C4H9.Sn/c6-3-4-5-1-2-7-4;3*1-3-4-2;/h1,6H,3H2;3*1,3-4H2,2H3;
InChIKey
FMOOJVUQOVMBOS-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1cnc(s1)CO)(CCCC)CCCC
Isomeric Smiles
s1c(cnc1CO)[Sn](CCCC)(CCCC)CCCC
Calculated Properties
JChem
Acid pKa
13.633432
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.8326163
LogD (pH = 7.4)
2.8328962
Log P
2.8329
Molar Refractivity
84.4012
Polarizability
38.074604
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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