Molecule

ID:8962

General Information
Structure
MolImage
Molecular Formula
C₈H₅ClF₂O
Molecular Mass
190.5745064
Exact Mass
189.9996989
Charge
0
InChI
InChI=1S/C8H5ClF2O/c1-4-2-3-5(10)6(7(4)11)8(9)12/h2-3H,1H3
InChIKey
LXCIIPPXRHOCQN-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1c(F)ccc(c1F)C
Isomeric Smiles
c1cc(c(c(c1F)C(=O)Cl)F)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9629836
LogD (pH = 7.4)
2.9629836
Log P
2.9629836
Molar Refractivity
42.6467
Polarizability
15.414416
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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