Molecule

ID:44974

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₂O₂Si
Molecular Mass
288.417
Exact Mass
288.12940442
Charge
0
InChI
InChI=1S/C15H20N2O2Si/c1-15(2,3)20(4,5)18-10-12-7-13-14(19-12)6-11(8-16)9-17-13/h6-7,9H,10H2,1-5H3
InChIKey
RFSBZBGGTCCJSY-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cnc2c(c1)oc(c2)CO[Si](C(C)(C)C)(C)C
Isomeric Smiles
c1(cnc2c(c1)oc(c2)CO[Si](C(C)(C)C)(C)C)C#N
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.0199997
LogD (pH = 7.4)
3.02
Log P
3.02
Molar Refractivity
74.6333
Polarizability
32.161655
Polar Surface Area
59.05
Rotatable Bonds
4
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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