Molecule

ID:50074

General Information
Structure
MolImage
Molecular Formula
C₈H₆ClFO₂
Molecular Mass
188.5834432
Exact Mass
188.00403533
Charge
0
InChI
InChI=1S/C8H6ClFO2/c1-12-8-5(4-11)2-6(10)3-7(8)9/h2-4H,1H3
InChIKey
LUCYVSMQRYCVHN-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(F)cc(c1OC)Cl
Isomeric Smiles
c1(c(c(cc(c1)F)Cl)OC)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2748234
LogD (pH = 7.4)
2.2748234
Log P
2.2748234
Molar Refractivity
44.1264
Polarizability
16.43772
Polar Surface Area
26.3
Rotatable Bonds
2
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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