Molecule

ID:9022

General Information
Structure
MolImage
Molecular Formula
C₂HClF₂O
Molecular Mass
114.4785464
Exact Mass
113.96839877
Charge
0
InChI
InChI=1S/C2HClF2O/c3-1(6)2(4)5/h2H
InChIKey
KURKJXZWCPWPFX-UHFFFAOYSA-N
Canonic Smiles
FC(C(=O)Cl)F
Isomeric Smiles
O=C(C(F)F)Cl
Calculated Properties
JChem
Acid pKa
13.30222
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.7246579
LogD (pH = 7.4)
0.72465736
Log P
0.7246579
Molar Refractivity
16.641
Polarizability
6.453625
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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