Molecule

ID:23847

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₅BrN₂Si
Molecular Mass
353.3726
Exact Mass
352.09703734
Charge
0
InChI
InChI=1S/C16H25BrN2Si/c1-11(2)20(12(3)4,13(5)6)19-8-7-15-16(19)9-14(17)10-18-15/h7-13H,1-6H3
InChIKey
RTCMSZSQBFLIEZ-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc2c(c1)n(cc2)[Si](C(C)C)(C(C)C)C(C)C
Isomeric Smiles
c1(cnc2c(c1)n(cc2)[Si](C(C)C)(C(C)C)C(C)C)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.254735
LogD (pH = 7.4)
5.256478
Log P
5.2565
Molar Refractivity
87.5248
Polarizability
36.815777
Polar Surface Area
17.82
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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