Molecule

ID:23884

General Information
Structure
MolImage
Molecular Formula
C₂₄H₃₃N₃O₃Si
Molecular Mass
439.62262
Exact Mass
439.22911846
Charge
0
InChI
InChI=1S/C24H33N3O3Si/c1-8-31(6,7)13-9-12-30-18-14-19(24(2,3)4)23(28)22(16-18)27-25-20-11-10-17(29-5)15-21(20)26-27/h8,10-11,14-16,28H,1,9,12-13H2,2-7H3
InChIKey
NAMSZFOHELZSOX-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)nn(n2)c1cc(OCCC[Si](C=C)(C)C)cc(c1O)C(C)(C)C
Isomeric Smiles
c1c(ccc2c1nn(n2)c1cc(cc(c1O)C(C)(C)C)OCCC[Si](C=C)(C)C)OC
Calculated Properties
JChem
Acid pKa
9.89989
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
6.1676826
LogD (pH = 7.4)
6.1663322
Log P
6.1677
Molar Refractivity
132.0222
Polarizability
50.7181
Polar Surface Area
69.4
Rotatable Bonds
9
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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