Molecule

ID:23796

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)19-8-7-14-9-15(17)10-18-16(14)19/h7-13H,1-6H3
InChIKey
UJUSITKTVXDVLQ-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc2c(c1)ccn2[Si](C(C)C)(C(C)C)C(C)C
Isomeric Smiles
c1(cnc2c(c1)ccn2[Si](C(C)C)(C(C)C)C(C)C)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.2863817
LogD (pH = 7.4)
5.287288
Log P
5.2873
Molar Refractivity
87.8494
Polarizability
36.15578
Polar Surface Area
17.82
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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