Molecule

ID:64182

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₃NSn
Molecular Mass
382.16232
Exact Mass
383.16349406
Charge
0
InChI
InChI=1S/C6H6N.3C4H9.Sn/c1-6-3-2-4-7-5-6;3*1-3-4-2;/h2-3,5H,1H3;3*1,3-4H2,2H3;
InChIKey
MVOHAZAWWAXIDR-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1ccc(cn1)C)(CCCC)CCCC
Isomeric Smiles
n1c([Sn](CCCC)(CCCC)CCCC)ccc(c1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.852662
LogD (pH = 7.4)
4.9071913
Log P
4.9848
Molar Refractivity
87.0878
Polarizability
38.595802
Polar Surface Area
12.89
Rotatable Bonds
10
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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