Molecule

ID:44880

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NOSi
Molecular Mass
191.30182
Exact Mass
191.07664057
Charge
0
InChI
InChI=1S/C10H13NOSi/c1-13(2,3)8-6-9-10(12)5-4-7-11-9/h4-5,7,12H,1-3H3
InChIKey
XGERZIBGPZAWHY-UHFFFAOYSA-N
Canonic Smiles
Oc1cccnc1C#C[Si](C)(C)C
Isomeric Smiles
c1cnc(c(c1)O)C#C[Si](C)(C)C
Calculated Properties
JChem
Acid pKa
8.429004
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.830571
LogD (pH = 7.4)
2.811389
Log P
2.8486
Molar Refractivity
45.7466
Polarizability
21.071276
Polar Surface Area
33.12
Rotatable Bonds
2
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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