Molecule

ID:64413

General Information
Structure
MolImage
Molecular Formula
C₂₉H₅₆FNSn₂
Molecular Mass
675.1620432
Exact Mass
677.24406702
Charge
0
InChI
InChI=1S/C5H2FN.6C4H9.2Sn/c6-5-1-3-7-4-2-5;6*1-3-4-2;;/h3-4H;6*1,3-4H2,2H3;;
InChIKey
BULNDTVEVKSTDB-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1cncc(c1F)[Sn](CCCC)(CCCC)CCCC)(CCCC)CCCC
Isomeric Smiles
c1(c([Sn](CCCC)(CCCC)CCCC)cncc1[Sn](CCCC)(CCCC)CCCC)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.862882
LogD (pH = 7.4)
7.039861
Log P
7.0428
Molar Refractivity
139.7815
Polarizability
64.023026
Polar Surface Area
12.89
Rotatable Bonds
20
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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