Molecule

ID:9044

General Information
Structure
MolImage
Molecular Formula
C₇H₄F₂O
Molecular Mass
142.1028664
Exact Mass
142.02302119
Charge
0
InChI
InChI=1S/C7H4F2O/c8-6-2-1-3-7(9)5(6)4-10/h1-4H
InChIKey
SOWRUJSGHKNOKN-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(F)cccc1F
Isomeric Smiles
c1ccc(c(c1F)C=O)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9711521
LogD (pH = 7.4)
1.9711521
Log P
1.9711521
Molar Refractivity
33.0748
Polarizability
11.710217
Polar Surface Area
17.07
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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