Molecule

ID:94007

General Information
Structure
MolImage
Molecular Formula
C₈H₆F₂O₂
Molecular Mass
172.1288464
Exact Mass
172.03358587
Charge
0
InChI
InChI=1S/C8H6F2O2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,1H3
InChIKey
YQUHULOBTDYMAG-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1F)F
Isomeric Smiles
Fc1c(ccc(c1)F)C(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2621267
LogD (pH = 7.4)
2.2621267
Log P
2.2621267
Molar Refractivity
38.5161
Polarizability
14.279225
Polar Surface Area
26.3
Rotatable Bonds
2
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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