Molecule

ID:8945

General Information
Structure
MolImage
Molecular Formula
C₈H₆F₂O
Molecular Mass
156.1294464
Exact Mass
156.03867125
Charge
0
InChI
InChI=1S/C8H6F2O/c9-6-3-5-1-2-11-8(5)7(10)4-6/h3-4H,1-2H2
InChIKey
UTACBIJGRPIWCG-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)c2c(c1)CCO2
Isomeric Smiles
c1(cc(c2c(c1)CCO2)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.140867
LogD (pH = 7.4)
2.140867
Log P
2.140867
Molar Refractivity
36.2636
Polarizability
13.346521
Polar Surface Area
9.23
Rotatable Bonds
0
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
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References
Bioactivity
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