Molecule

ID:44961

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₉BrN₂O₃Si
Molecular Mass
441.43466
Exact Mass
440.11308133
Charge
0
InChI
InChI=1S/C19H29BrN2O3Si/c1-18(2,3)17(23)22-15-13(20)10-21-14-9-12(25-16(14)15)11-24-26(7,8)19(4,5)6/h9-10H,11H2,1-8H3,(H,21,22,23)
InChIKey
SEJJQICANHTYPX-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc2c(c1NC(=O)C(C)(C)C)oc(c2)CO[Si](C(C)(C)C)(C)C
Isomeric Smiles
c1(cnc2c(c1NC(=O)C(C)(C)C)oc(c2)CO[Si](C(C)(C)C)(C)C)Br
Calculated Properties
JChem
Acid pKa
10.975016
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.177838
LogD (pH = 7.4)
5.177885
Log P
5.178
Molar Refractivity
105.0999
Polarizability
43.48035
Polar Surface Area
64.36
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
No Data Available
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Molecule Details
References
Bioactivity
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