Molecule

ID:136644

General Information
Structure
MolImage
Molecular Formula
C₅H₄ClFO₃
Molecular Mass
166.5348632
Exact Mass
165.98329989
Charge
0
InChI
InChI=1S/C5H4ClFO3/c1-3(6)2-10-5(9)4(7)8/h1-2H2
InChIKey
VFJFFZOLHSXKOG-UHFFFAOYSA-N
Canonic Smiles
ClC(=C)COC(=O)C(=O)F
Isomeric Smiles
C=C(COC(=O)C(=O)F)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3292291
LogD (pH = 7.4)
1.3292291
Log P
1.3292291
Molar Refractivity
32.3101
Polarizability
12.462131
Polar Surface Area
43.37
Rotatable Bonds
4
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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