Molecule

ID:65248

General Information
Structure
Molecular Formula
C₂₁H₃₃NSn
Molecular Mass
418.19442
Exact Mass
419.16349406
Charge
0
InChI
InChI=1S/C9H6N.3C4H9.Sn/c1-2-6-9-8(4-1)5-3-7-10-9;3*1-3-4-2;/h1-4,6-7H;3*1,3-4H2,2H3;
InChIKey
HKHSDOVXXQFZQQ-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1ccnc2c1cccc2)(CCCC)CCCC
Isomeric Smiles
c1ccc2c(c1)nccc2[Sn](CCCC)(CCCC)CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.1703134
LogD (pH = 7.4)
5.21963
Log P
5.2203
Molar Refractivity
97.8113
Polarizability
44.307262
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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