Molecule

ID:8158

General Information
Structure
MolImage
Molecular Formula
C₇H₂ClF₃O
Molecular Mass
194.5383896
Exact Mass
193.97462702
Charge
0
InChI
InChI=1S/C7H2ClF3O/c8-7(12)6-4(10)1-3(9)2-5(6)11/h1-2H
InChIKey
SIFIJQFBERMWMU-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1c(F)cc(cc1F)F
Isomeric Smiles
c1c(cc(c(c1F)C(=O)Cl)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5922642
LogD (pH = 7.4)
2.5922642
Log P
2.5922642
Molar Refractivity
37.8219
Polarizability
13.603964
Polar Surface Area
17.07
Rotatable Bonds
1
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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