Molecule

ID:54419

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄IN₃Si
Molecular Mass
401.36113
Exact Mass
401.07842232
Charge
0
InChI
InChI=1S/C15H24IN3Si/c1-10(2)20(11(3)4,12(5)6)19-8-14(16)13-7-17-9-18-15(13)19/h7-12H,1-6H3
InChIKey
QTQVRRVKABLKLH-UHFFFAOYSA-N
Canonic Smiles
CC([Si](n1cc(c2c1ncnc2)I)(C(C)C)C(C)C)C
Isomeric Smiles
n1cnc2c(c1)c(cn2[Si](C(C)C)(C(C)C)C(C)C)I
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.3012805
LogD (pH = 7.4)
4.657418
Log P
4.6648
Molar Refractivity
92.4103
Polarizability
37.60314
Polar Surface Area
30.71
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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