Molecule

ID:44947

General Information
Structure
Molecular Formula
C₁₄H₂₀BrNO₂Si
Molecular Mass
342.3036
Exact Mass
341.04466742
Charge
0
InChI
InChI=1S/C14H20BrNO2Si/c1-14(2,3)19(4,5)17-9-11-7-12-13(18-11)6-10(15)8-16-12/h6-8H,9H2,1-5H3
InChIKey
BWBCLDRXKTZAQX-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc2c(c1)oc(c2)CO[Si](C(C)(C)C)(C)C
Isomeric Smiles
c1(cnc2c(c1)oc(c2)CO[Si](C(C)(C)C)(C)C)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9967809
LogD (pH = 7.4)
3.9967997
Log P
3.9968
Molar Refractivity
76.5345
Polarizability
33.05687
Polar Surface Area
35.26
Rotatable Bonds
4
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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