Molecule

ID:44971

General Information
Structure
Molecular Formula
C₁₅H₂₃NO₃Si
Molecular Mass
293.43352
Exact Mass
293.14472013
Charge
0
InChI
InChI=1S/C15H23NO3Si/c1-15(2,3)20(4,5)18-10-12-7-13-14(19-12)6-11(9-17)8-16-13/h6-8,17H,9-10H2,1-5H3
InChIKey
FABMDYUQZRCJAN-UHFFFAOYSA-N
Canonic Smiles
OCc1cnc2c(c1)oc(c2)CO[Si](C(C)(C)C)(C)C
Isomeric Smiles
c1(cnc2c(c1)oc(c2)CO[Si](C(C)(C)C)(C)C)CO
Calculated Properties
JChem
Acid pKa
14.5002
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.369292
LogD (pH = 7.4)
2.3696947
Log P
2.3697
Molar Refractivity
75.7276
Polarizability
32.781635
Polar Surface Area
55.49
Rotatable Bonds
5
Lipinski's Rule of Five
true
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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