Molecule

ID:44928

General Information
Structure
Molecular Formula
C₁₆H₂₆IN₃O₃Si
Molecular Mass
463.38591
Exact Mass
463.07881624
Charge
0
InChI
InChI=1S/C16H26IN3O3Si/c1-16(2,3)24(4,5)23-11-12-6-7-19(10-12)15-13(17)8-18-9-14(15)20(21)22/h8-9,12H,6-7,10-11H2,1-5H3
InChIKey
LDAXNEJQOMFZOT-UHFFFAOYSA-N
Canonic Smiles
Ic1cncc(c1N1CCC(C1)CO[Si](C(C)(C)C)(C)C)[N+](=O)[O-]
Isomeric Smiles
c1(cncc(c1N1CC(CC1)CO[Si](C(C)(C)C)(C)C)[N+](=O)[O-])I
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
4.132519
LogD (pH = 7.4)
4.132895
Log P
4.1329
Molar Refractivity
101.7033
Polarizability
40.804806
Polar Surface Area
68.5
Rotatable Bonds
6
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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