Molecule

ID:92069

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄O₂Si
Molecular Mass
218.32386
Exact Mass
218.07630622
Charge
0
InChI
InChI=1S/C12H14O2Si/c1-15(2,3)9-8-10-4-6-11(7-5-10)12(13)14/h4-7H,1-3H3,(H,13,14)
InChIKey
GUFYYXWHDBOLBG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(cc1)C#C[Si](C)(C)C
Isomeric Smiles
[Si](C#Cc1ccc(cc1)C(=O)O)(C)(C)C
Calculated Properties
JChem
Acid pKa
4.2378087
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2780416
LogD (pH = 7.4)
0.5140954
Log P
3.5617
Molar Refractivity
53.5508
Polarizability
23.682367
Polar Surface Area
37.3
Rotatable Bonds
3
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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