Molecule

ID:32507

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₂BrNO₂Si
Molecular Mass
332.30878
Exact Mass
331.06031748
Charge
0
InChI
InChI=1S/C13H22BrNO2Si/c1-13(2,3)18(5,6)17-9-11-12(16-4)7-10(14)8-15-11/h7-8H,9H2,1-6H3
InChIKey
YVIAJFISQPPERO-UHFFFAOYSA-N
Canonic Smiles
COc1cc(Br)cnc1CO[Si](C(C)(C)C)(C)C
Isomeric Smiles
c1(cnc(c(c1)OC)CO[Si](C(C)(C)C)(C)C)Br
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.4522097
LogD (pH = 7.4)
3.4522989
Log P
3.4523
Molar Refractivity
74.1289
Polarizability
31.246845
Polar Surface Area
31.35
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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