Molecule

ID:92175

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₅BrOSi
Molecular Mass
329.3479
Exact Mass
328.08580395
Charge
0
InChI
InChI=1S/C15H25BrOSi/c1-11(2)18(12(3)4,13(5)6)17-15-9-7-8-14(16)10-15/h7-13H,1-6H3
InChIKey
YOSBXSDNMZXREZ-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(c1)O[Si](C(C)C)(C(C)C)C(C)C
Isomeric Smiles
[Si](C(C)C)(Oc1cccc(c1)Br)(C(C)C)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.0991
LogD (pH = 7.4)
6.0991
Log P
6.0991
Molar Refractivity
79.123
Polarizability
33.197094
Polar Surface Area
9.23
Rotatable Bonds
5
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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