Molecule

ID:65087

General Information
Structure
Molecular Formula
C₁₈H₃₃NSn
Molecular Mass
382.16232
Exact Mass
383.16349406
Charge
0
InChI
InChI=1S/C6H6N.3C4H9.Sn/c1-6-4-2-3-5-7-6;3*1-3-4-2;/h3-5H,1H3;3*1,3-4H2,2H3;
InChIKey
HKKVMSAVVHWLHJ-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1ccnc(c1)C)(CCCC)CCCC
Isomeric Smiles
c1cnc(cc1[Sn](CCCC)(CCCC)CCCC)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.450444
LogD (pH = 7.4)
3.9756646
Log P
3.9896
Molar Refractivity
86.3246
Polarizability
38.59581
Polar Surface Area
12.89
Rotatable Bonds
10
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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