Molecule

ID:9074

General Information
Structure
MolImage
Molecular Formula
C₇H₄F₂O₂
Molecular Mass
158.1022664
Exact Mass
158.01793581
Charge
0
InChI
InChI=1S/C7H4F2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
InChIKey
LBQMIAVIGLLBGW-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)C(=O)O)F
Isomeric Smiles
c1(ccc(c(c1)C(=O)O)F)F
Calculated Properties
JChem
Acid pKa
2.960576
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5821364
LogD (pH = 7.4)
-1.5628558
Log P
1.9162326
Molar Refractivity
33.747
Polarizability
12.266295
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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