Molecule

ID:45230

General Information
Structure
MolImage
Molecular Formula
C₉H₆F₄O₂
Molecular Mass
222.1363528
Exact Mass
222.03039231
Charge
0
InChI
InChI=1S/C9H6F4O2/c1-15-8(14)6-4-5(9(11,12)13)2-3-7(6)10/h2-4H,1H3
InChIKey
UAEUYKATVUSDCK-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(ccc1F)C(F)(F)F
Isomeric Smiles
c1(cc(C(F)(F)F)ccc1F)C(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9972732
LogD (pH = 7.4)
2.9972732
Log P
2.9972732
Molar Refractivity
44.2734
Polarizability
15.945654
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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