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Molecule
ID:83526
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₁₃H₂₃BrSi
Molecular Mass
287.31122
Exact Mass
286.07523927
Charge
0
InChI
InChI=1S/C13H23BrSi/c1-15(2,3)13-7-10-4-11(8-13)6-12(14,5-10)9-13/h10-11H,4-9H2,1-3H3
InChIKey
HVYYOYCLSZUXOR-UHFFFAOYSA-N
Canonic Smiles
BrC12CC3CC(C1)CC(C2)(C3)[Si](C)(C)C
Isomeric Smiles
[Si](C12CC3(Br)CC(C1)CC(C2)C3)(C)(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.5856
LogD (pH = 7.4)
3.5856
Log P
3.5856
Molar Refractivity
65.6338
Polarizability
28.040833
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
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Registration numbers
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Properties
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
Calculated Properties
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RDKit
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Synonyms
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IUPAC name
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IUPAC Traditional name
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PubChem SID
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PubChem CID
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MDL Number
Properties
Related Proteins
Molecular Spectra
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From Data Sources
Bioactivity
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Data Source
Commercial Catalog
Apollo Scientific
OR26337
Academic Data
PubChem
2780454
Names and Identifiers
Synonyms
(3-bromo-1-adamantyl)(trimethyl)silane
IUPAC name
(3-bromoadamantan-1-yl)trimethylsilane
IUPAC Traditional name
(3-bromoadamantan-1-yl)trimethylsilane
Registration numbers
PubChem SID
162070643
PubChem CID
2780454
MDL Number
MFCD00167838
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay