Molecule

ID:112969

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClNO₂Si
Molecular Mass
255.77286
Exact Mass
255.04823291
Charge
0
InChI
InChI=1S/C11H14ClNO2Si/c1-16(2,3)5-4-8-6-9(7-14)13-11(12)10(8)15/h6,14-15H,7H2,1-3H3
InChIKey
UPUKXPTXCGNQJR-UHFFFAOYSA-N
Canonic Smiles
OCc1nc(Cl)c(c(c1)C#C[Si](C)(C)C)O
Isomeric Smiles
C(#C[Si](C)(C)C)c1c(c(nc(c1)CO)Cl)O
Calculated Properties
JChem
Acid pKa
6.9061265
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.63725
LogD (pH = 7.4)
2.0972502
Log P
2.6532
Molar Refractivity
58.2784
Polarizability
25.51685
Polar Surface Area
53.35
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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