Molecule

ID:9072

General Information
Structure
Molecular Formula
C₇H₄F₂O₂
Molecular Mass
158.1022664
Exact Mass
158.01793581
Charge
0
InChI
InChI=1S/C7H4F2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11)
InChIKey
JLZVIWSFUPLSOR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc(c1F)F
Isomeric Smiles
c1cc(c(c(c1)C(=O)O)F)F
Calculated Properties
JChem
Acid pKa
2.9929843
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5527335
LogD (pH = 7.4)
-1.5591862
Log P
1.9162326
Molar Refractivity
33.747
Polarizability
12.264003
Polar Surface Area
37.3
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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