Molecule

ID:97241

General Information
Structure
MolImage
Molecular Formula
C₂HClF₂O
Molecular Mass
114.4785464
Exact Mass
113.96839877
Charge
0
InChI
InChI=1S/C2HClF2O/c3-1(4)2(5)6/h1H
InChIKey
YKNVBFORMKGBOI-UHFFFAOYSA-N
Canonic Smiles
FC(=O)C(Cl)F
Isomeric Smiles
FC(=O)C(Cl)F
Calculated Properties
JChem
Acid pKa
13.249785
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.8704958
LogD (pH = 7.4)
0.8704952
Log P
0.87049586
Molar Refractivity
16.9245
Polarizability
6.4386306
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation