Molecule

ID:32462

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₃NO₂Si
Molecular Mass
253.41272
Exact Mass
253.14980551
Charge
0
InChI
InChI=1S/C13H23NO2Si/c1-13(2,3)17(5,6)16-10-11-7-12(15-4)9-14-8-11/h7-9H,10H2,1-6H3
InChIKey
QZZNOAMEUXEYKS-UHFFFAOYSA-N
Canonic Smiles
COc1cncc(c1)CO[Si](C(C)(C)C)(C)C
Isomeric Smiles
c1(cncc(c1)CO[Si](C(C)(C)C)(C)C)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4791243
LogD (pH = 7.4)
2.5097919
Log P
2.5102
Molar Refractivity
67.0283
Polarizability
28.456251
Polar Surface Area
31.35
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation