Molecule

ID:111713

General Information
Structure
MolImage
Molecular Formula
C₂H₃ClF₂O₂
Molecular Mass
132.4938264
Exact Mass
131.97896346
Charge
0
InChI
InChI=1S/C2HClF2O.H2O/c3-2(4,5)1-6;/h1H;1H2
InChIKey
IXBXGDDHRMKTGN-UHFFFAOYSA-N
Canonic Smiles
O=CC(Cl)(F)F.O
Isomeric Smiles
O.FC(F)(Cl)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.95705324
LogD (pH = 7.4)
0.95705324
Log P
0.95705324
Molar Refractivity
17.5633
Polarizability
6.4410787
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
No Data Available
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Molecule Details
References
Bioactivity
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