Molecule

ID:16334

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄BrNO₂Si
Molecular Mass
288.21316
Exact Mass
286.99771723
Charge
0
InChI
InChI=1S/C10H14BrNO2Si/c1-14-10(13)7-5-6-12-9(11)8(7)15(2,3)4/h5-6H,1-4H3
InChIKey
KKTZOVPBJCUUMP-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccnc(c1[Si](C)(C)C)Br
Isomeric Smiles
C(=O)(c1ccnc(c1[Si](C)(C)C)Br)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.656199
LogD (pH = 7.4)
3.6562
Log P
3.6562
Molar Refractivity
60.455
Polarizability
25.230978
Polar Surface Area
39.19
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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