Molecule

ID:100618

General Information
Structure
MolImage
Molecular Formula
C₈H₆ClFO₂
Molecular Mass
188.5834432
Exact Mass
188.00403533
Charge
0
InChI
InChI=1S/C8H6ClFO2/c1-12-6-4-2-3-5(7(6)10)8(9)11/h2-4H,1H3
InChIKey
ZMPICCMPENQNFS-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1F)C(=O)Cl
Isomeric Smiles
O=C(c1c(c(ccc1)OC)F)Cl
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
16.399796
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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