Molecule

ID:56706

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClF₃O₂
Molecular Mass
266.6441096
Exact Mass
266.0321419
Charge
0
InChI
InChI=1S/C11H10ClF3O2/c1-2-9(10(12)16)17-8-5-3-4-7(6-8)11(13,14)15/h3-6,9H,2H2,1H3
InChIKey
ZLMHQAGTGONDPZ-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)Cl)Oc1cccc(c1)C(F)(F)F
Isomeric Smiles
C(c1cc(OC(C(=O)Cl)CC)ccc1)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7960227
LogD (pH = 7.4)
3.7960227
Log P
3.7960227
Molar Refractivity
57.4559
Polarizability
21.605728
Polar Surface Area
26.3
Rotatable Bonds
5
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
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References
Bioactivity
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