Molecule

ID:93223

General Information
Structure
MolImage
Molecular Formula
C₉H₆ClF₃O
Molecular Mass
222.5915496
Exact Mass
222.00592715
Charge
0
InChI
InChI=1S/C9H6ClF3O/c1-5-2-3-6(9(11,12)13)4-7(5)8(10)14/h2-4H,1H3
InChIKey
MXPJWWPYMSWHBS-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cc(ccc1C)C(F)(F)F
Isomeric Smiles
ClC(=O)c1c(ccc(c1)C(F)(F)F)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5554283
LogD (pH = 7.4)
3.5554283
Log P
3.5554283
Molar Refractivity
48.1876
Polarizability
17.160517
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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