Molecule

ID:50586

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆ClIN₂OSi
Molecular Mass
452.83341
Exact Mass
452.05476567
Charge
0
InChI
InChI=1S/C16H26ClIN2OSi/c1-16(2,3)22(4,5)21-11-12-6-7-20(10-12)13-8-14(18)15(17)19-9-13/h8-9,12H,6-7,10-11H2,1-5H3
InChIKey
LHQXTKWGOAUMSV-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(cc1I)N1CCC(C1)CO[Si](C(C)(C)C)(C)C
Isomeric Smiles
c1(cnc(c(c1)I)Cl)N1CC(CC1)CO[Si](C(C)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.067999
LogD (pH = 7.4)
5.068
Log P
5.068
Molar Refractivity
101.2489
Polarizability
40.78346
Polar Surface Area
25.36
Rotatable Bonds
5
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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