Molecule

ID:94215

General Information
Structure
MolImage
Molecular Formula
C₈H₅Cl₂FO
Molecular Mass
207.0291032
Exact Mass
205.97014836
Charge
0
InChI
InChI=1S/C8H5Cl2FO/c1-4(12)6-2-5(9)3-7(10)8(6)11/h2-3H,1H3
InChIKey
LVVYERCKCGWONQ-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c(c(c1)C(=O)C)F
Isomeric Smiles
O=C(c1cc(cc(c1F)Cl)Cl)C
Calculated Properties
JChem
Acid pKa
15.008552
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8816845
LogD (pH = 7.4)
2.8816845
Log P
2.8816845
Molar Refractivity
46.2868
Polarizability
17.656918
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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