Molecule

ID:33010

General Information
Structure
Molecular Formula
C₁₅H₂₀INO₃Si
Molecular Mass
417.31417
Exact Mass
417.02571804
Charge
0
InChI
InChI=1S/C15H20INO3Si/c1-15(2,3)20-14(18)19-12-8-7-11(17-13(12)16)9-10-21(4,5)6/h7-8H,1-6H3
InChIKey
GQCXQIDDGFOWAC-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)Oc1ccc(nc1I)C#C[Si](C)(C)C
Isomeric Smiles
c1c(nc(c(c1)OC(=O)OC(C)(C)C)I)C#C[Si](C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.2787995
LogD (pH = 7.4)
5.2788
Log P
5.2788
Molar Refractivity
83.3979
Polarizability
36.379665
Polar Surface Area
48.42
Rotatable Bonds
6
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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