Molecule

ID:65669

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆BrIN₂O₂SSi
Molecular Mass
535.26941
Exact Mass
533.89298529
Charge
0
InChI
InChI=1S/C16H16BrIN2O2SSi/c1-24(2,3)16-14(18)13-9-11(17)10-19-15(13)20(16)23(21,22)12-7-5-4-6-8-12/h4-10H,1-3H3
InChIKey
ARHQHWSUQQJEAC-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc2c(c1)c(I)c(n2S(=O)(=O)c1ccccc1)[Si](C)(C)C
Isomeric Smiles
c1(cnc2c(c1)c(c(n2S(=O)(=O)c1ccccc1)[Si](C)(C)C)I)Br
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.8136997
LogD (pH = 7.4)
5.8137
Log P
5.8137
Molar Refractivity
104.2627
Polarizability
44.172073
Polar Surface Area
51.96
Rotatable Bonds
2
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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