Molecule

ID:100619

General Information
Structure
MolImage
Molecular Formula
C₈H₃Cl₂F₃O
Molecular Mass
243.0100296
Exact Mass
241.95130474
Charge
0
InChI
InChI=1S/C8H3Cl2F3O/c9-6-4(7(10)14)2-1-3-5(6)8(11,12)13/h1-3H
InChIKey
PKEMXTIVOBWBNO-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cccc(c1Cl)C(F)(F)F
Isomeric Smiles
O=C(c1c(c(ccc1)C(F)(F)F)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6460516
LogD (pH = 7.4)
3.6460516
Log P
3.6460516
Molar Refractivity
47.9512
Polarizability
17.482626
Polar Surface Area
17.07
Rotatable Bonds
2
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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