Molecule

ID:7285

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClF₂O
Molecular Mass
178.5638064
Exact Mass
177.9996989
Charge
0
InChI
InChI=1S/C7H5ClF2O/c8-7-4(3-11)5(9)1-2-6(7)10/h1-2,11H,3H2
InChIKey
SWOINHLBPZMVBC-UHFFFAOYSA-N
Canonic Smiles
OCc1c(F)ccc(c1Cl)F
Isomeric Smiles
c1cc(c(c(c1F)CO)Cl)F
Calculated Properties
JChem
Acid pKa
14.091453
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.0953445
LogD (pH = 7.4)
2.0953445
Log P
2.0953445
Molar Refractivity
38.1115
Polarizability
14.265929
Polar Surface Area
20.23
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
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Molecule Details
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References
Bioactivity
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