Molecule

ID:15480

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂N₂O₂Si
Molecular Mass
290.43288
Exact Mass
290.14505449
Charge
0
InChI
InChI=1S/C15H22N2O2Si/c1-15(2,3)19-14(18)17-13-8-7-12(11-16-13)9-10-20(4,5)6/h7-8,11H,1-6H3,(H,16,17,18)
InChIKey
YGCSGXBHBYIJFY-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)Nc1ccc(cn1)C#C[Si](C)(C)C
Isomeric Smiles
c1(cnc(cc1)NC(=O)OC(C)(C)C)C#C[Si](C)(C)C
Calculated Properties
JChem
Acid pKa
13.000353
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.216556
LogD (pH = 7.4)
4.217092
Log P
4.2171
Molar Refractivity
74.7434
Polarizability
31.563782
Polar Surface Area
51.22
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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