Molecule

ID:77668

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₃NSn
Molecular Mass
406.18372
Exact Mass
407.16349406
Charge
0
InChI
InChI=1S/C8H6N.3C4H9.Sn/c1-2-4-8-7(3-1)5-6-9-8;3*1-3-4-2;/h1-2,4-6,9H;3*1,3-4H2,2H3;
InChIKey
KVEWWBCCRQUNMU-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1cccc2c1cc[nH]2)(CCCC)CCCC
Isomeric Smiles
[nH]1ccc2c(cccc12)[Sn](CCCC)(CCCC)CCCC
Calculated Properties
JChem
Acid pKa
16.5386
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
5.2323
LogD (pH = 7.4)
5.2323
Log P
5.2323
Molar Refractivity
94.9765
Polarizability
42.89578
Polar Surface Area
15.79
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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