Molecule

ID:50528

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₇IN₂OSi
Molecular Mass
418.38835
Exact Mass
418.09373803
Charge
0
InChI
InChI=1S/C16H27IN2OSi/c1-16(2,3)21(4,5)20-12-13-7-9-19(11-13)15-6-8-18-10-14(15)17/h6,8,10,13H,7,9,11-12H2,1-5H3
InChIKey
OQDLUWCIEIGPID-UHFFFAOYSA-N
Canonic Smiles
Ic1cnccc1N1CCC(C1)CO[Si](C(C)(C)C)(C)C
Isomeric Smiles
c1cncc(c1N1CC(CC1)CO[Si](C(C)(C)C)(C)C)I
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.2052681
LogD (pH = 7.4)
4.0004263
Log P
4.1793
Molar Refractivity
95.3828
Polarizability
38.775906
Polar Surface Area
25.36
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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