Molecule

ID:9619

General Information
Structure
MolImage
Molecular Formula
C₈H₆F₂O₂
Molecular Mass
172.1288464
Exact Mass
172.03358587
Charge
0
InChI
InChI=1S/C8H6F2O2/c9-8(10)12-7-3-1-2-6(4-7)5-11/h1-5,8H
InChIKey
HFIUSWPRDIPIPN-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)OC(F)F
Isomeric Smiles
c1ccc(cc1C=O)OC(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4548352
LogD (pH = 7.4)
2.4548352
Log P
2.4548352
Molar Refractivity
39.1141
Polarizability
14.332353
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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