Molecule

ID:94131

General Information
Structure
MolImage
Molecular Formula
C₈H₅Cl₂F₃
Molecular Mass
229.0265096
Exact Mass
227.97204018
Charge
0
InChI
InChI=1S/C8H5Cl2F3/c9-7(10)5-2-1-3-6(4-5)8(11,12)13/h1-4,7H
InChIKey
YHSJPSUQWJNGQJ-UHFFFAOYSA-N
Canonic Smiles
ClC(c1cccc(c1)C(F)(F)F)Cl
Isomeric Smiles
ClC(c1cc(ccc1)C(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.1070366
LogD (pH = 7.4)
4.1070366
Log P
4.1070366
Molar Refractivity
46.9527
Polarizability
17.188236
Polar Surface Area
0.0
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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