Molecule

ID:54595

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₆N₂O₂Si
Molecular Mass
330.49674
Exact Mass
330.17635461
Charge
0
InChI
InChI=1S/C18H26N2O2Si/c1-13-12-15-16(19-14(13)8-11-23(5,6)7)22-10-9-20(15)17(21)18(2,3)4/h12H,9-10H2,1-7H3
InChIKey
FKZBSJMWTIOEEB-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C)(C)C)N1CCOc2c1cc(C)c(n2)C#C[Si](C)(C)C
Isomeric Smiles
c1(c(cc2c(n1)OCCN2C(=O)C(C)(C)C)C)C#C[Si](C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.819377
LogD (pH = 7.4)
4.8194
Log P
4.8194
Molar Refractivity
85.2959
Polarizability
36.27186
Polar Surface Area
42.43
Rotatable Bonds
3
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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