Molecule

ID:98940

General Information
Structure
MolImage
Molecular Formula
C₈H₃ClF₄O₂
Molecular Mass
242.5548328
Exact Mass
241.9757699
Charge
0
InChI
InChI=1S/C8H3ClF4O2/c9-7(14)4-2-1-3-5(6(4)10)15-8(11,12)13/h1-3H
InChIKey
HTSMSODHCUDYTJ-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cccc(c1F)OC(F)(F)F
Isomeric Smiles
O=C(c1c(c(ccc1)OC(F)(F)F)F)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7379718
LogD (pH = 7.4)
3.7379718
Log P
3.7379718
Molar Refractivity
40.4594
Polarizability
16.206413
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
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Molecule Details
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References
Bioactivity
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