Molecule

ID:9864

General Information
Structure
MolImage
Molecular Formula
C₂BrClF₂O
Molecular Mass
193.3746064
Exact Mass
191.87891074
Charge
0
InChI
InChI=1S/C2BrClF2O/c3-2(5,6)1(4)7
InChIKey
LYJKGSALBRSKNL-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C(Br)(F)F
Isomeric Smiles
O=C(C(F)(F)Br)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.799372
LogD (pH = 7.4)
1.799372
Log P
1.799372
Molar Refractivity
25.1557
Polarizability
9.7323265
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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