Molecule

ID:29894

General Information
Structure
MolImage
Molecular Formula
C₉H₄ClF₃O
Molecular Mass
220.5756696
Exact Mass
219.99027709
Charge
0
InChI
InChI=1S/C9H4ClF3O/c10-6-1-2-7-5(3-6)4-8(14-7)9(11,12)13/h1-4H
InChIKey
KEDGIJUWFIFHQA-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)cc(o2)C(F)(F)F
Isomeric Smiles
o1c(cc2c1ccc(c2)Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.5342636
LogD (pH = 7.4)
3.5342636
Log P
3.5342636
Molar Refractivity
45.5551
Polarizability
17.759563
Polar Surface Area
13.14
Rotatable Bonds
1
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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