Molecule

ID:32485

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄BrNOSi
Molecular Mass
284.22446
Exact Mass
283.00280261
Charge
0
InChI
InChI=1S/C11H14BrNOSi/c1-14-11-7-9(12)8-13-10(11)5-6-15(2,3)4/h7-8H,1-4H3
InChIKey
JLHCBUZCMGZUAK-UHFFFAOYSA-N
Canonic Smiles
COc1cc(Br)cnc1C#C[Si](C)(C)C
Isomeric Smiles
c1(cnc(c(c1)OC)C#C[Si](C)(C)C)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.6719887
LogD (pH = 7.4)
3.6720986
Log P
3.6721
Molar Refractivity
57.8517
Polarizability
25.778679
Polar Surface Area
22.12
Rotatable Bonds
3
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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