Molecule

ID:23699

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄ClNO₂Si
Molecular Mass
267.78356
Exact Mass
267.04823291
Charge
0
InChI
InChI=1S/C12H14ClNO2Si/c1-16-12(15)10-9(5-7-14-11(10)13)6-8-17(2,3)4/h5,7H,1-4H3
InChIKey
YXAFNLLWRMATGC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1c(ccnc1Cl)C#C[Si](C)(C)C
Isomeric Smiles
c1cnc(c(c1C#C[Si](C)(C)C)C(=O)OC)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.770199
LogD (pH = 7.4)
3.7702
Log P
3.7702
Molar Refractivity
62.0291
Polarizability
26.871326
Polar Surface Area
39.19
Rotatable Bonds
4
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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