Molecule

ID:32447

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃BrN₂Si
Molecular Mass
269.21312
Exact Mass
268.00313696
Charge
0
InChI
InChI=1S/C10H13BrN2Si/c1-14(2,3)5-4-8-6-9(11)7-13-10(8)12/h6-7H,1-3H3,(H2,12,13)
InChIKey
XWDKTCNJXFYEOM-UHFFFAOYSA-N
Canonic Smiles
Nc1ncc(cc1C#C[Si](C)(C)C)Br
Isomeric Smiles
c1(cnc(c(c1)C#C[Si](C)(C)C)N)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4215221
LogD (pH = 7.4)
3.4408479
Log P
3.4411
Molar Refractivity
56.7744
Polarizability
24.385414
Polar Surface Area
38.91
Rotatable Bonds
2
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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