Molecule

ID:121774

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₁NO₃Si
Molecular Mass
255.38554
Exact Mass
255.12907007
Charge
0
InChI
InChI=1S/C12H21NO3Si/c1-14-17(15-2,16-3)11-7-10-13-12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3
InChIKey
KBJFYLLAMSZSOG-UHFFFAOYSA-N
Canonic Smiles
CO[Si](CCCNc1ccccc1)(OC)OC
Isomeric Smiles
[Si](OC)(OC)(OC)CCCNc1ccccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.009258
LogD (pH = 7.4)
2.0949898
Log P
2.0962
Molar Refractivity
65.738
Polarizability
27.534546
Polar Surface Area
39.72
Rotatable Bonds
8
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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