Molecule

ID:97986

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClF₃O₂
Molecular Mass
212.5536696
Exact Mass
211.98519171
Charge
0
InChI
InChI=1S/C7H4ClF3O2/c1-3-2-4(6(8)12)5(13-3)7(9,10)11/h2H,1H3
InChIKey
YJUNYUKKNWEHBQ-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(c(o1)C(F)(F)F)C(=O)Cl
Isomeric Smiles
o1c(cc(c1C(F)(F)F)C(=O)Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3018148
LogD (pH = 7.4)
2.3018148
Log P
2.3018148
Molar Refractivity
40.687
Polarizability
14.37948
Polar Surface Area
30.21
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
No Data Available
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Molecule Details
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References
Bioactivity
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