Molecule

ID:54574

General Information
Structure
Molecular Formula
C₁₂H₁₅NO₂Si
Molecular Mass
233.3385
Exact Mass
233.08720526
Charge
0
InChI
InChI=1S/C12H15NO2Si/c1-16(2,3)7-4-10-8-11-12(13-9-10)15-6-5-14-11/h8-9H,5-6H2,1-3H3
InChIKey
BTHBOCUKDGDVNA-UHFFFAOYSA-N
Canonic Smiles
C[Si](C#Cc1cnc2c(c1)OCCO2)(C)C
Isomeric Smiles
c1(cnc2c(c1)OCCO2)C#C[Si](C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7492368
LogD (pH = 7.4)
2.7492993
Log P
2.7493
Molar Refractivity
55.4086
Polarizability
24.781855
Polar Surface Area
31.35
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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