Molecule

ID:93076

General Information
Structure
MolImage
Molecular Formula
C₈H₂Cl₂F₄O
Molecular Mass
261.0004928
Exact Mass
259.94188292
Charge
0
InChI
InChI=1S/C8H2Cl2F4O/c9-4-2-1-3(8(12,13)14)5(6(4)11)7(10)15/h1-2H
InChIKey
QRJJXSXDJDIRPI-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1c(F)c(Cl)ccc1C(F)(F)F
Isomeric Smiles
ClC(=O)c1c(c(ccc1C(F)(F)F)Cl)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7887535
LogD (pH = 7.4)
3.7887535
Log P
3.7887535
Molar Refractivity
48.1676
Polarizability
17.431383
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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