Molecule

ID:33033

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)14(18)17-10-7-8-16-11-9-12(19-13(10)11)20(4,5)6/h7-9H,1-6H3,(H,16,17,18)
InChIKey
FWOPZJYMLLPQNR-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C)(C)C)Nc1ccnc2c1oc(c2)[Si](C)(C)C
Isomeric Smiles
c1cnc2c(c1NC(=O)C(C)(C)C)oc(c2)[Si](C)(C)C
Calculated Properties
JChem
Acid pKa
11.589247
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.111073
LogD (pH = 7.4)
4.120945
Log P
4.1211
Molar Refractivity
76.2525
Polarizability
32.68066
Polar Surface Area
55.13
Rotatable Bonds
3
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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