Molecule

ID:44978

General Information
Structure
Molecular Formula
C₁₁H₁₄N₂O₂Si
Molecular Mass
234.32656
Exact Mass
234.08245423
Charge
0
InChI
InChI=1S/C11H14N2O2Si/c1-16(2,3)11-5-9-10(15-11)4-8(6-12-9)7-13-14/h4-7,14H,1-3H3/b13-7+
InChIKey
CQNPYIXCRNPAEL-NTUHNPAUSA-N
Canonic Smiles
O/N=C/c1cnc2c(c1)oc(c2)[Si](C)(C)C
Isomeric Smiles
c1(cnc2c(c1)oc(c2)[Si](C)(C)C)/C=N/O
Calculated Properties
JChem
Acid pKa
9.5769615
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.5762966
LogD (pH = 7.4)
2.5738294
Log P
2.5767
Molar Refractivity
58.0928
Polarizability
25.522686
Polar Surface Area
58.62
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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