Molecule

ID:51556

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₈FN₃O₂Si
Molecular Mass
353.5070232
Exact Mass
353.1934819
Charge
0
InChI
InChI=1S/C17H28FN3O2Si/c1-17(2,3)24(4,5)23-12-13-8-9-21(11-13)15-7-6-14(10-19-22)16(18)20-15/h6-7,10,13,22H,8-9,11-12H2,1-5H3/b19-10+
InChIKey
WOTVVABGCQKFMF-VXLYETTFSA-N
Canonic Smiles
O/N=C/c1ccc(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)/C=N/O
Calculated Properties
JChem
Acid pKa
8.974936
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
4.1206326
LogD (pH = 7.4)
4.109456
Log P
4.1208
Molar Refractivity
93.9706
Polarizability
36.66533
Polar Surface Area
57.95
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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