Molecule

ID:94922

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉ClF₂O
Molecular Mass
254.6597664
Exact Mass
254.03099903
Charge
0
InChI
InChI=1S/C13H9ClF2O/c14-10-4-9(6-12(16)7-10)13(17)8-2-1-3-11(15)5-8/h1-7,13,17H
InChIKey
RGBKGNVWRLEJTG-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)C(c1cc(F)cc(c1)Cl)O
Isomeric Smiles
OC(c1cc(ccc1)F)c1cc(cc(c1)Cl)F
Calculated Properties
JChem
Acid pKa
13.425746
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.8795848
LogD (pH = 7.4)
3.8795843
Log P
3.8795848
Molar Refractivity
62.3943
Polarizability
23.637476
Polar Surface Area
20.23
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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