Molecule

ID:132588

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇F₃O₃
Molecular Mass
244.1666896
Exact Mass
244.03472874
Charge
0
InChI
InChI=1S/C11H7F3O3/c1-16-6-2-3-7-8(11(12,13)14)5-10(15)17-9(7)4-6/h2-5H,1H3
InChIKey
HAZHUELNIGDYQH-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)oc(=O)cc2C(F)(F)F
Isomeric Smiles
COc1ccc2c(cc(=O)oc2c1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.28951
LogD (pH = 7.4)
2.28951
Log P
2.28951
Molar Refractivity
53.2263
Polarizability
19.520596
Polar Surface Area
35.53
Rotatable Bonds
2
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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