Molecule

ID:7465

General Information
Structure
Molecular Formula
C₇H₃Cl₂FO
Molecular Mass
193.0025232
Exact Mass
191.9544983
Charge
0
InChI
InChI=1S/C7H3Cl2FO/c8-5-3-4(7(9)11)1-2-6(5)10/h1-3H
InChIKey
DLZUHSFUBZTBQZ-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ccc(c(c1)Cl)F
Isomeric Smiles
c1c(c(cc(c1)C(=O)Cl)Cl)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.910905
LogD (pH = 7.4)
2.910905
Log P
2.910905
Molar Refractivity
42.1939
Polarizability
15.83323
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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