Molecule

ID:65802

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂BrNO₃Si
Molecular Mass
360.31888
Exact Mass
359.0552321
Charge
0
InChI
InChI=1S/C14H22BrNO3Si/c1-14(2,3)20(4,5)19-10-9-11-12(15)7-6-8-13(11)16(17)18/h6-8H,9-10H2,1-5H3
InChIKey
DGEQRGHOYGSUFX-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(c1CCO[Si](C(C)(C)C)(C)C)[N+](=O)[O-]
Isomeric Smiles
c1cc(c(c(c1)Br)CCO[Si](C)(C)C(C)(C)C)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.0719
LogD (pH = 7.4)
5.0719
Log P
5.0719
Molar Refractivity
82.4245
Polarizability
33.293316
Polar Surface Area
55.05
Rotatable Bonds
6
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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