Molecule

ID:51559

General Information
Structure
MolImage
Molecular Formula
C₂₁H₃₆FN₃O₃Si
Molecular Mass
425.6127432
Exact Mass
425.25099678
Charge
0
InChI
InChI=1S/C21H36FN3O3Si/c1-20(2,3)28-19(26)23-16-9-10-17(24-18(16)22)25-12-11-15(13-25)14-27-29(7,8)21(4,5)6/h9-10,15H,11-14H2,1-8H3,(H,23,26)
InChIKey
RTVWDCOOJGQFTE-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)Nc1ccc(nc1F)N1CCC(C1)CO[Si](C(C)(C)C)(C)C
Isomeric Smiles
c1(c(nc(cc1)N1CCC(C1)CO[Si](C(C)(C)C)(C)C)F)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
11.848757
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
5.268599
LogD (pH = 7.4)
5.2685847
Log P
5.2686
Molar Refractivity
113.8571
Polarizability
44.516365
Polar Surface Area
63.69
Rotatable Bonds
8
Lipinski's Rule of Five
false
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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