Molecule

ID:80249

General Information
Structure
MolImage
Molecular Formula
C₃₀H₄₀N₂O₂Si₂
Molecular Mass
516.8218
Exact Mass
516.26283159
Charge
0
InChI
InChI=1S/C30H40N2O2Si2/c1-27-25(23-15-11-9-12-16-23)19-30(22-32,34-36(6,7)8)28(27,2)26(24-17-13-10-14-18-24)20-29(27,21-31)33-35(3,4)5/h9-18,25-26H,19-20H2,1-8H3/t25?,26?,27-,28+,29?,30?
InChIKey
LRHBAWMZMYGFDN-AKNPVCNASA-N
Canonic Smiles
N#CC1(CC([C@]2([C@@]1(C)C(CC2(C#N)O[Si](C)(C)C)c1ccccc1)C)c1ccccc1)O[Si](C)(C)C
Isomeric Smiles
O(C1([C@@]2([C@](C(CC2c2ccccc2)(C#N)O[Si](C)(C)C)(C(C1)c1ccccc1)C)C)C#N)[Si](C)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
7.068
LogD (pH = 7.4)
7.068
Log P
7.068
Molar Refractivity
138.6286
Polarizability
58.55044
Polar Surface Area
66.04
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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