Molecule

ID:100807

General Information
Structure
MolImage
Molecular Formula
C₈H₅F₄NO₂
Molecular Mass
223.1244128
Exact Mass
223.02564129
Charge
0
InChI
InChI=1S/C8H5F4NO2/c9-7(10)5-3-4(13)1-2-6(5)14-8(11,12)15-7/h1-3H,13H2
InChIKey
ZENKESXKWBIZCV-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)C(F)(F)OC(O2)(F)F
Isomeric Smiles
O1C(OC(c2cc(ccc12)N)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.0376165
LogD (pH = 7.4)
3.0418305
Log P
3.0418844
Molar Refractivity
40.2642
Polarizability
15.318867
Polar Surface Area
44.48
Rotatable Bonds
0
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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