Molecule

ID:8998

General Information
Structure
MolImage
Molecular Formula
C₇H₅Cl₂FO
Molecular Mass
195.0184032
Exact Mass
193.97014836
Charge
0
InChI
InChI=1S/C7H5Cl2FO/c8-5-2-6(9)7(10)1-4(5)3-11/h1-2,11H,3H2
InChIKey
JSYAJRDFLAMNMF-UHFFFAOYSA-N
Canonic Smiles
OCc1cc(F)c(cc1Cl)Cl
Isomeric Smiles
C(O)c1c(Cl)cc(c(c1)F)Cl
Calculated Properties
JChem
Acid pKa
14.527489
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.5566874
LogD (pH = 7.4)
2.5566874
Log P
2.5566874
Molar Refractivity
42.6999
Polarizability
16.39289
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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