Molecule

ID:13711

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₁NSSn
Molecular Mass
424.22214
Exact Mass
425.119915
Charge
0
InChI
InChI=1S/C7H4NS.3C4H9.Sn/c1-2-4-7-6(3-1)8-5-9-7;3*1-3-4-2;/h1-4H;3*1,3-4H2,2H3;
InChIKey
BIXRSCVOWFUPML-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1nc2c(s1)cccc2)(CCCC)CCCC
Isomeric Smiles
s1c(nc2c1cccc2)[Sn](CCCC)(CCCC)CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.8643556
LogD (pH = 7.4)
5.8661766
Log P
5.8662
Molar Refractivity
94.434
Polarizability
43.005913
Polar Surface Area
12.89
Rotatable Bonds
10
Lipinski's Rule of Five
false
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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