Molecule

ID:78276

General Information
Structure
MolImage
Molecular Formula
C₉H₂₂BrNSi₂
Molecular Mass
280.35268
Exact Mass
279.04741477
Charge
0
InChI
InChI=1S/C9H22BrNSi2/c1-12(2)8-9-13(3,4)11(12)7-5-6-10/h5-9H2,1-4H3
InChIKey
BKBUBAVZGMRPAK-UHFFFAOYSA-N
Canonic Smiles
BrCCCN1[Si](C)(C)CC[Si]1(C)C
Isomeric Smiles
[Si]1(C)(C)CC[Si](N1CCCBr)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-0.47757524
LogD (pH = 7.4)
-0.45474657
Log P
2.9987
Molar Refractivity
58.7666
Polarizability
26.624214
Polar Surface Area
3.24
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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
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Bioactivity
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