Molecule

ID:50658

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₈N₂O₂Si₂
Molecular Mass
418.72032
Exact Mass
418.24718153
Charge
0
InChI
InChI=1S/C22H38N2O2Si2/c1-22(2,3)28(7,8)25-16-17-9-10-24(14-17)15-18-11-20-19(23-13-18)12-21(26-20)27(4,5)6/h11-13,17H,9-10,14-16H2,1-8H3
InChIKey
FYIVFWBKWAFZGA-UHFFFAOYSA-N
Canonic Smiles
C[Si](C(C)(C)C)(OCC1CCN(C1)Cc1cnc2c(c1)oc(c2)[Si](C)(C)C)C
Isomeric Smiles
c1c(cc2c(n1)cc(o2)[Si](C)(C)C)CN1CCC(C1)CO[Si](C(C)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.379615
LogD (pH = 7.4)
4.182857
Log P
5.0164
Molar Refractivity
109.9204
Polarizability
48.80584
Polar Surface Area
38.5
Rotatable Bonds
7
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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