Molecule

ID:50660

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄N₂O₃Si
Molecular Mass
320.45886
Exact Mass
320.15561917
Charge
0
InChI
InChI=1S/C16H24N2O3Si/c1-16(2,3)21-15(19)18-10-11-7-13-12(17-9-11)8-14(20-13)22(4,5)6/h7-9H,10H2,1-6H3,(H,18,19)
InChIKey
LKWDGCJFTLMBOF-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NCc1cnc2c(c1)oc(c2)[Si](C)(C)C
Isomeric Smiles
c1c(cc2c(n1)cc(o2)[Si](C)(C)C)CNC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
14.133059
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.3419874
LogD (pH = 7.4)
3.3427896
Log P
3.3428
Molar Refractivity
81.0335
Polarizability
35.219543
Polar Surface Area
64.36
Rotatable Bonds
5
Lipinski's Rule of Five
true
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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