Molecule

ID:95300

General Information
Structure
MolImage
Molecular Formula
C₈H₆ClFO₂
Molecular Mass
188.5834432
Exact Mass
188.00403533
Charge
0
InChI
InChI=1S/C8H6ClFO2/c1-5(11)12-8-3-2-6(10)4-7(8)9/h2-4H,1H3
InChIKey
CTWQBKXPINCJIX-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Oc1ccc(cc1Cl)F
Isomeric Smiles
O(c1c(cc(cc1)F)Cl)C(=O)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3272533
LogD (pH = 7.4)
2.3272533
Log P
2.3272533
Molar Refractivity
42.2116
Polarizability
16.449877
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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