Molecule

ID:94398

General Information
Structure
MolImage
Molecular Formula
C₂HClF₂O₂
Molecular Mass
130.4779464
Exact Mass
129.96331339
Charge
0
InChI
InChI=1S/C2HClF2O2/c3-2(4,5)1(6)7/h(H,6,7)
InChIKey
OAWAZQITIZDJRB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(Cl)(F)F
Isomeric Smiles
FC(Cl)(F)C(=O)O
Calculated Properties
JChem
Acid pKa
1.1694092
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.3500798
LogD (pH = 7.4)
-2.412935
Log P
1.1156695
Molar Refractivity
18.4887
Polarizability
7.0847225
Polar Surface Area
37.3
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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