Molecule

ID:51558

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆FN₃OSi
Molecular Mass
335.4917432
Exact Mass
335.18291722
Charge
0
InChI
InChI=1S/C17H26FN3OSi/c1-17(2,3)23(4,5)22-12-13-8-9-21(11-13)15-7-6-14(10-19)16(18)20-15/h6-7,13H,8-9,11-12H2,1-5H3
InChIKey
AWORSJZNQVJMQP-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(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
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.299
LogD (pH = 7.4)
4.299
Log P
4.299
Molar Refractivity
89.2865
Polarizability
35.23041
Polar Surface Area
49.15
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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