Molecule

ID:71357

General Information
Structure
MolImage
Molecular Formula
C₆H₄F₂O₂
Molecular Mass
146.0915664
Exact Mass
146.01793581
Charge
0
InChI
InChI=1S/C6H4F2O2/c7-3-1-2-4(9)5(8)6(3)10/h1-2,9-10H
InChIKey
IBNBFQFUGXNAKU-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1O)F)O
Isomeric Smiles
Oc1c(c(O)c(cc1)F)F
Calculated Properties
JChem
Acid pKa
7.580284
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.6479568
LogD (pH = 7.4)
1.4306968
Log P
1.6515191
Molar Refractivity
30.4526
Polarizability
11.158124
Polar Surface Area
40.46
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
References
Bioactivity
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