Molecule

ID:100113

General Information
Structure
Molecular Formula
C₁₁H₈ClF₃O₂
Molecular Mass
264.6282296
Exact Mass
264.01649184
Charge
0
InChI
InChI=1S/C11H8ClF3O2/c1-17-10(16)5-3-7-2-4-8(6-9(7)12)11(13,14)15/h2-6H,1H3
InChIKey
DEBTZZCLGLZGAA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)/C=C/c1ccc(cc1Cl)C(F)(F)F
Isomeric Smiles
FC(c1cc(c(cc1)/C=C/C(=O)OC)Cl)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.997207
LogD (pH = 7.4)
3.997207
Log P
3.997207
Molar Refractivity
58.6075
Polarizability
21.437742
Polar Surface Area
26.3
Rotatable Bonds
4
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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