Molecule

ID:97194

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClFO₂
Molecular Mass
174.5568632
Exact Mass
173.98838527
Charge
0
InChI
InChI=1S/C7H4ClFO2/c8-7(10)11-6-3-1-5(9)2-4-6/h1-4H
InChIKey
MSBGPEACXKBQSX-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)Oc1ccc(cc1)F
Isomeric Smiles
Fc1ccc(cc1)OC(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7299354
LogD (pH = 7.4)
2.7299354
Log P
2.7299354
Molar Refractivity
38.1198
Polarizability
14.619859
Polar Surface Area
26.3
Rotatable Bonds
2
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
References
Bioactivity
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