Molecule

ID:59387

General Information
Structure
MolImage
Molecular Formula
C₈H₂ClF₅O₂
Molecular Mass
260.545296
Exact Mass
259.96634808
Charge
0
InChI
InChI=1S/C8H2ClF5O2/c9-2(15)1-16-8-6(13)4(11)3(10)5(12)7(8)14/h1H2
InChIKey
WQLJMPAQIWVNGS-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)COc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
c1(c(c(c(c(c1F)OCC(=O)Cl)F)F)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5403972
LogD (pH = 7.4)
2.5403972
Log P
2.5403972
Molar Refractivity
43.5463
Polarizability
16.121668
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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