Molecule

ID:77666

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₁NOSn
Molecular Mass
396.14584
Exact Mass
397.14275862
Charge
0
InChI
InChI=1S/C6H4NO.3C4H9.Sn/c8-5-6-2-1-3-7-4-6;3*1-3-4-2;/h2-5H;3*1,3-4H2,2H3;
InChIKey
JZRSFXHYBYDTDV-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1cncc(c1)C=O)(CCCC)CCCC
Isomeric Smiles
[Sn](c1cc(cnc1)C=O)(CCCC)(CCCC)CCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4759245
LogD (pH = 7.4)
3.49426
Log P
3.4945
Molar Refractivity
88.3171
Polarizability
38.76363
Polar Surface Area
29.96
Rotatable Bonds
11
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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