Molecule

ID:45141

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₃NO₃Si
Molecular Mass
353.48702
Exact Mass
353.14472013
Charge
0
InChI
InChI=1S/C20H23NO3Si/c1-23-20(22)17-12-16(10-11-25(2,3)4)19(21)18(13-17)24-14-15-8-6-5-7-9-15/h5-9,12-13H,14,21H2,1-4H3
InChIKey
JZPANYLQNXKNQP-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(OCc2ccccc2)c(c(c1)C#C[Si](C)(C)C)N
Isomeric Smiles
C(#C[Si](C)(C)C)c1c(c(cc(C(=O)OC)c1)OCc1ccccc1)N
Calculated Properties
JChem
Acid pKa
18.040806
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.9337244
LogD (pH = 7.4)
4.9340954
Log P
4.9341
Molar Refractivity
94.0961
Polarizability
39.028416
Polar Surface Area
61.55
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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