Molecule

ID:65548

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₁N₃O₂Si
Molecular Mass
315.44234
Exact Mass
315.14030346
Charge
0
InChI
InChI=1S/C16H21N3O2Si/c1-16(2,3)21-15(20)19-14-13(11-18-19)9-12(10-17-14)7-8-22(4,5)6/h9-11H,1-6H3
InChIKey
CEEFQZUQBYCYPE-UHFFFAOYSA-N
Canonic Smiles
O=C(n1ncc2c1ncc(c2)C#C[Si](C)(C)C)OC(C)(C)C
Isomeric Smiles
c1(cnc2c(c1)cnn2C(=O)OC(C)(C)C)C#C[Si](C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.5704
LogD (pH = 7.4)
3.5704
Log P
3.5704
Molar Refractivity
78.8049
Polarizability
34.08063
Polar Surface Area
57.01
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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