Molecule

ID:18096

General Information
Structure
MolImage
Molecular Formula
C₃HCl₂F₃O₂
Molecular Mass
196.9400496
Exact Mass
195.93056929
Charge
0
InChI
InChI=1S/C3HCl2F3O2/c4-2(5,1(9)10)3(6,7)8/h(H,9,10)
InChIKey
OEOQSGPFZFSHBS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(C(F)(F)F)(Cl)Cl
Isomeric Smiles
O=C(O)C(C(F)(F)F)(Cl)Cl
Calculated Properties
JChem
Acid pKa
1.8436917
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.81085944
LogD (pH = 7.4)
-1.0489252
Log P
2.47648
Molar Refractivity
28.1589
Polarizability
10.8316765
Polar Surface Area
37.3
Rotatable Bonds
2
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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