Molecule

ID:50530

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂BrClN₂Si
Molecular Mass
303.65818
Exact Mass
301.96416461
Charge
0
InChI
InChI=1S/C10H12BrClN2Si/c1-15(2,3)5-4-7-6-8(11)14-10(12)9(7)13/h6H,13H2,1-3H3
InChIKey
OAKKZZHXYRPKKE-UHFFFAOYSA-N
Canonic Smiles
Brc1nc(Cl)c(c(c1)C#C[Si](C)(C)C)N
Isomeric Smiles
c1c(nc(c(c1C#C[Si](C)(C)C)N)Cl)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.0287
LogD (pH = 7.4)
4.0287
Log P
4.0287
Molar Refractivity
63.1692
Polarizability
26.4533
Polar Surface Area
38.91
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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