Molecule

ID:129455

General Information
Structure
MolImage
Molecular Formula
C₂₅H₂₉FO₂Si
Molecular Mass
408.5804632
Exact Mass
408.19208492
Charge
0
InChI
InChI=1S/C25H29FO2Si/c1-4-27-21-13-15-23(16-14-21)29(2,3)18-8-9-20-12-17-24(26)25(19-20)28-22-10-6-5-7-11-22/h5-7,10-17,19H,4,8-9,18H2,1-3H3
InChIKey
HPYNBECUCCGGPA-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)[Si](CCCc1ccc(c(c1)Oc1ccccc1)F)(C)C
Isomeric Smiles
Fc1ccc(cc1Oc1ccccc1)CCC[Si](c1ccc(OCC)cc1)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
7.6066
LogD (pH = 7.4)
7.6066
Log P
7.6066
Molar Refractivity
113.8084
Polarizability
46.330242
Polar Surface Area
18.46
Rotatable Bonds
9
Lipinski's Rule of Five
false
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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