Molecule

ID:50661

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₃NO₃Si
Molecular Mass
305.44422
Exact Mass
305.14472013
Charge
0
InChI
InChI=1S/C16H23NO3Si/c1-11(18)12-7-15-14(17-9-12)8-13(20-15)10-19-21(5,6)16(2,3)4/h7-9H,10H2,1-6H3
InChIKey
SELVQOQQZHBJAQ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1cnc2c(c1)oc(c2)CO[Si](C(C)(C)C)(C)C
Isomeric Smiles
c1(cnc2c(c1)oc(c2)CO[Si](C(C)(C)C)(C)C)C(=O)C
Calculated Properties
JChem
Acid pKa
15.40764
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5134432
LogD (pH = 7.4)
2.5134993
Log P
2.5135
Molar Refractivity
79.3145
Polarizability
34.066025
Polar Surface Area
52.33
Rotatable Bonds
5
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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