Molecule

ID:56304

General Information
Structure
MolImage
Molecular Formula
C₈H₆ClFO₂
Molecular Mass
188.5834432
Exact Mass
188.00403533
Charge
0
InChI
InChI=1S/C8H6ClFO2/c9-8(11)5-12-7-4-2-1-3-6(7)10/h1-4H,5H2
InChIKey
XSLKRUIYILEVAI-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)COc1ccccc1F
Isomeric Smiles
C(=O)(COc1c(F)cccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9695895
LogD (pH = 7.4)
1.9695895
Log P
1.9695895
Molar Refractivity
42.6807
Polarizability
16.42436
Polar Surface Area
26.3
Rotatable Bonds
3
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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