Molecule

ID:23804

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄FIN₂Si
Molecular Mass
418.3635332
Exact Mass
418.07375153
Charge
0
InChI
InChI=1S/C16H24FIN2Si/c1-10(2)21(11(3)4,12(5)6)20-9-15(18)14-7-13(17)8-19-16(14)20/h7-12H,1-6H3
InChIKey
TUPFUIVWIXAUFW-UHFFFAOYSA-N
Canonic Smiles
Fc1cnc2c(c1)c(I)cn2[Si](C(C)C)(C(C)C)C(C)C
Isomeric Smiles
c1(cnc2c(c1)c(cn2[Si](C(C)C)(C(C)C)C(C)C)I)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.6255865
LogD (pH = 7.4)
5.6256
Log P
5.6256
Molar Refractivity
93.8055
Polarizability
38.201477
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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