Molecule

ID:51637

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆FIN₂OSi
Molecular Mass
436.3788132
Exact Mass
436.08431621
Charge
0
InChI
InChI=1S/C16H26FIN2OSi/c1-16(2,3)22(4,5)21-11-12-6-7-20(10-12)15-9-13(18)8-14(17)19-15/h8-9,12H,6-7,10-11H2,1-5H3
InChIKey
ZTERAYIZDZBDSC-UHFFFAOYSA-N
Canonic Smiles
Ic1cc(F)nc(c1)N1CCC(C1)CO[Si](C(C)(C)C)(C)C
Isomeric Smiles
c1c(nc(cc1I)N1CCC(C1)CO[Si](C(C)(C)C)(C)C)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.4746
LogD (pH = 7.4)
5.4746
Log P
5.4746
Molar Refractivity
96.9274
Polarizability
38.548294
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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