Molecule

ID:94641

General Information
Structure
Molecular Formula
C₁₃H₇F₃O
Molecular Mass
236.1892896
Exact Mass
236.0448995
Charge
0
InChI
InChI=1S/C13H7F3O/c14-9-6-10(12(16)11(15)7-9)13(17)8-4-2-1-3-5-8/h1-7H
InChIKey
SJTQEZSDGPXVQO-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)c(c(c1)C(=O)c1ccccc1)F
Isomeric Smiles
O=C(c1cc(cc(c1F)F)F)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.8607047
LogD (pH = 7.4)
3.8607047
Log P
3.8607047
Molar Refractivity
57.2827
Polarizability
21.071726
Polar Surface Area
17.07
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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