Molecule

ID:13686

General Information
Structure
MolImage
Molecular Formula
C₈H₆ClFO₂
Molecular Mass
188.5834432
Exact Mass
188.00403533
Charge
0
InChI
InChI=1S/C8H6ClFO2/c1-12-7-3-2-5(8(9)11)4-6(7)10/h2-4H,1H3
InChIKey
LOSBAHQDKBWMBY-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1F)C(=O)Cl
Isomeric Smiles
c1c(c(cc(c1)C(=O)Cl)F)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.149189
LogD (pH = 7.4)
2.149189
Log P
2.149189
Molar Refractivity
43.8523
Polarizability
16.3971
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
No Data Available
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Molecule Details
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References
Bioactivity
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