Molecule

ID:8940

General Information
Structure
Molecular Formula
C₈H₄F₂O₄
Molecular Mass
202.1117664
Exact Mass
202.00776505
Charge
0
InChI
InChI=1S/C8H4F2O4/c9-8(10)13-5-3-1-2-4(7(11)12)6(5)14-8/h1-3H,(H,11,12)
InChIKey
ZGAQVJDFFVTWJK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc2c1OC(O2)(F)F
Isomeric Smiles
c1ccc2c(c1C(=O)O)OC(O2)(F)F
Calculated Properties
JChem
Acid pKa
3.273376
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.4387158
LogD (pH = 7.4)
-0.7847983
Log P
2.6468067
Molar Refractivity
37.151
Polarizability
14.99982
Polar Surface Area
55.76
Rotatable Bonds
1
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
References
Bioactivity
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