Molecule

ID:96360

General Information
Structure
MolImage
Molecular Formula
C₁₂H₇F₃O₃
Molecular Mass
256.1773896
Exact Mass
256.03472874
Charge
0
InChI
InChI=1S/C12H7F3O3/c13-12(14,15)18-9-3-1-2-8(6-9)11-5-4-10(7-16)17-11/h1-7H
InChIKey
GRDQKUCGIZQOOC-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(o1)c1cccc(c1)OC(F)(F)F
Isomeric Smiles
o1c(ccc1C=O)c1cc(ccc1)OC(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7443328
LogD (pH = 7.4)
3.7443328
Log P
3.7443328
Molar Refractivity
53.1169
Polarizability
21.877527
Polar Surface Area
39.44
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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