Molecule

ID:50680

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆O₃Si
Molecular Mass
248.34984
Exact Mass
248.0868709
Charge
0
InChI
InChI=1S/C13H16O3Si/c1-16-13(15)11-9-10(5-6-12(11)14)7-8-17(2,3)4/h5-6,9,14H,1-4H3
InChIKey
SVSDOLBGZNROSZ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(ccc1O)C#C[Si](C)(C)C
Isomeric Smiles
c1(C(=O)OC)c(ccc(C#C[Si](C)(C)C)c1)O
Calculated Properties
JChem
Acid pKa
9.8984995
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.558983
LogD (pH = 7.4)
4.5576277
Log P
4.559
Molar Refractivity
60.3008
Polarizability
26.390623
Polar Surface Area
46.53
Rotatable Bonds
4
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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