Molecule

ID:45042

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClNO₂Si
Molecular Mass
255.77286
Exact Mass
255.04823291
Charge
0
InChI
InChI=1S/C11H14ClNO2Si/c1-15-9-7-8(5-6-16(2,3)4)10(14)11(12)13-9/h7,14H,1-4H3
InChIKey
UVJDGLRCSIFECD-UHFFFAOYSA-N
Canonic Smiles
COc1nc(Cl)c(c(c1)C#C[Si](C)(C)C)O
Isomeric Smiles
C(#C[Si](C)(C)C)c1c(c(nc(c1)OC)Cl)O
Calculated Properties
JChem
Acid pKa
7.52207
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.780183
LogD (pH = 7.4)
3.5547976
Log P
3.7841
Molar Refractivity
58.7614
Polarizability
25.582636
Polar Surface Area
42.35
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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