Molecule

ID:51667

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₄FN₃Si
Molecular Mass
317.4764632
Exact Mass
317.17235254
Charge
0
InChI
InChI=1S/C17H24FN3Si/c1-11(2)22(12(3)4,13(5)6)21-8-7-14-15(9-19)16(18)10-20-17(14)21/h7-8,10-13H,1-6H3
InChIKey
KWBSNCOQUZARMS-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(F)cnc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C
Isomeric Smiles
c1(cnc2c(c1C#N)ccn2[Si](C(C)C)(C(C)C)C(C)C)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.45
LogD (pH = 7.4)
4.45
Log P
4.45
Molar Refractivity
86.1646
Polarizability
34.97206
Polar Surface Area
41.61
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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