Molecule

ID:23825

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₈N₂OSi
Molecular Mass
304.50252
Exact Mass
304.19709006
Charge
0
InChI
InChI=1S/C17H28N2OSi/c1-12(2)21(13(3)4,14(5)6)19-11-9-15-16(20-7)8-10-18-17(15)19/h8-14H,1-7H3
InChIKey
ALLDEWVIIULVNW-UHFFFAOYSA-N
Canonic Smiles
COc1ccnc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C
Isomeric Smiles
c1cnc2c(c1OC)ccn2[Si](C(C)C)(C(C)C)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7988765
LogD (pH = 7.4)
4.2321777
Log P
4.2428
Molar Refractivity
86.6898
Polarizability
36.022198
Polar Surface Area
27.05
Rotatable Bonds
5
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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