Molecule

ID:50656

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇NOSi
Molecular Mass
231.36568
Exact Mass
231.1079407
Charge
0
InChI
InChI=1S/C13H17NOSi/c1-5-6-10-7-12-11(14-9-10)8-13(15-12)16(2,3)4/h5,7-9H,1,6H2,2-4H3
InChIKey
KSIXFIRSSFJEIB-UHFFFAOYSA-N
Canonic Smiles
C=CCc1cnc2c(c1)oc(c2)[Si](C)(C)C
Isomeric Smiles
c1c(cc2c(n1)cc(o2)[Si](C)(C)C)CC=C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9835842
LogD (pH = 7.4)
3.9845872
Log P
3.9846
Molar Refractivity
61.9744
Polarizability
27.588583
Polar Surface Area
26.03
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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