Molecule

ID:51695

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₄N₂O₂Si
Molecular Mass
316.47016
Exact Mass
316.16070455
Charge
0
InChI
InChI=1S/C17H24N2O2Si/c1-17(2,3)16(20)19-10-11-21-15-14(19)8-7-13(18-15)9-12-22(4,5)6/h7-8H,10-11H2,1-6H3
InChIKey
GHTIBXLCZWYECA-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C)(C)C)N1CCOc2c1ccc(n2)C#C[Si](C)(C)C
Isomeric Smiles
c1(ccc2c(n1)OCCN2C(=O)C(C)(C)C)C#C[Si](C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.352192
LogD (pH = 7.4)
4.3522
Log P
4.3522
Molar Refractivity
80.2547
Polarizability
34.507835
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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