Molecule

ID:100474

General Information
Structure
MolImage
Molecular Formula
C₆H₆F₄O₂
Molecular Mass
186.1042528
Exact Mass
186.03039231
Charge
0
InChI
InChI=1S/C6H6F4O2/c1-11-3-4(12-2)6(9,10)5(3,7)8/h1-2H3
InChIKey
PJEGONMRIIERFA-UHFFFAOYSA-N
Canonic Smiles
COC1=C(OC)C(C1(F)F)(F)F
Isomeric Smiles
O(C1=C(OC)C(C1(F)F)(F)F)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.8124621
LogD (pH = 7.4)
0.8124621
Log P
0.8124621
Molar Refractivity
32.9416
Polarizability
11.858025
Polar Surface Area
18.46
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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