Molecule

ID:44960

General Information
Structure
Molecular Formula
C₂₀H₃₂BNO₄Si
Molecular Mass
389.36888
Exact Mass
389.21936544
Charge
0
InChI
InChI=1S/C20H32BNO4Si/c1-18(2,3)27(8,9)23-13-15-11-16-17(24-15)10-14(12-22-16)21-25-19(4,5)20(6,7)26-21/h10-12H,13H2,1-9H3
InChIKey
INHBSQTVWYQOCB-UHFFFAOYSA-N
Canonic Smiles
C[Si](C(C)(C)C)(OCc1cc2c(o1)cc(cn2)B1OC(C(O1)(C)C)(C)C)C
Isomeric Smiles
c1(cnc2c(c1)oc(c2)CO[Si](C(C)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
5.058729
LogD (pH = 7.4)
5.0587993
Log P
5.0588
Molar Refractivity
98.5668
Polarizability
44.005825
Polar Surface Area
53.72
Rotatable Bonds
5
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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