Molecule

ID:8938

General Information
Structure
MolImage
Molecular Formula
C₈H₃ClF₂O₃
Molecular Mass
220.5574264
Exact Mass
219.97387808
Charge
0
InChI
InChI=1S/C8H3ClF2O3/c9-7(12)4-2-1-3-5-6(4)14-8(10,11)13-5/h1-3H
InChIKey
URZQSPHXJREUFT-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cccc2c1OC(O2)(F)F
Isomeric Smiles
c1ccc2c(c1C(=O)Cl)OC(O2)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.1801362
LogD (pH = 7.4)
3.1801362
Log P
3.1801362
Molar Refractivity
41.0095
Polarizability
16.415731
Polar Surface Area
35.53
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
No Data Available
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Molecule Details
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References
Bioactivity
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