Molecule

ID:15477

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂N₂OSi
Molecular Mass
238.40138
Exact Mass
238.15013987
Charge
0
InChI
InChI=1S/C12H22N2OSi/c1-12(2,3)16(4,5)15-9-10-6-7-14-11(13)8-10/h6-8H,9H2,1-5H3,(H2,13,14)
InChIKey
JMNHDECXCXSHHT-UHFFFAOYSA-N
Canonic Smiles
Nc1nccc(c1)CO[Si](C(C)(C)C)(C)C
Isomeric Smiles
c1c(nccc1CO[Si](C(C)(C)C)(C)C)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5460203
LogD (pH = 7.4)
2.6006603
Log P
2.6783
Molar Refractivity
65.579
Polarizability
27.077808
Polar Surface Area
48.14
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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