Molecule

ID:25670

General Information
Structure
MolImage
Molecular Formula
C₉H₈F₂O₃
Molecular Mass
202.1548264
Exact Mass
202.04415056
Charge
0
InChI
InChI=1S/C9H8F2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)
InChIKey
WAKAFGLBHPKARJ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(Oc1ccc(cc1F)F)C
Isomeric Smiles
O(c1c(cc(cc1)F)F)C(C(=O)O)C
Calculated Properties
JChem
Acid pKa
2.8823159
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.42080918
LogD (pH = 7.4)
-1.3392776
Log P
2.147726
Molar Refractivity
43.5325
Polarizability
16.644226
Polar Surface Area
46.53
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
No Data Available
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Molecule Details
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References
Bioactivity
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