Molecule

ID:94053

General Information
Structure
MolImage
Molecular Formula
C₈H₂F₂O₃
Molecular Mass
184.0964864
Exact Mass
183.99720036
Charge
0
InChI
InChI=1S/C8H2F2O3/c9-4-2-1-3-5(6(4)10)8(12)13-7(3)11/h1-2H
InChIKey
HOLXVIZWJDORKM-UHFFFAOYSA-N
Canonic Smiles
O=C1OC(=O)c2c1c(F)c(cc2)F
Isomeric Smiles
O1C(=O)c2ccc(c(c2C1=O)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7079875
LogD (pH = 7.4)
1.7079875
Log P
1.7079875
Molar Refractivity
37.7978
Polarizability
13.777681
Polar Surface Area
43.37
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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