Molecule

ID:97201

General Information
Structure
Molecular Formula
C₈H₄Cl₂F₂O
Molecular Mass
225.0195664
Exact Mass
223.96072655
Charge
0
InChI
InChI=1S/C8H4Cl2F2O/c1-3-5(9)2-4(8(10)13)7(12)6(3)11/h2H,1H3
InChIKey
RNPZVHICWXPYEC-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cc(Cl)c(c(c1F)F)C
Isomeric Smiles
Fc1c(cc(c(c1F)C)Cl)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5670283
LogD (pH = 7.4)
3.5670283
Log P
3.5670283
Molar Refractivity
47.4515
Polarizability
17.405155
Polar Surface Area
17.07
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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