Molecule

ID:93911

General Information
Structure
MolImage
Molecular Formula
C₇H₄F₂O₂
Molecular Mass
158.1022664
Exact Mass
158.01793581
Charge
0
InChI
InChI=1S/C7H4F2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H
InChIKey
QGSAZWCEHUYVMW-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(F)cc(c1O)F
Isomeric Smiles
Fc1cc(c(c(c1)F)O)C=O
Calculated Properties
JChem
Acid pKa
7.1779165
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.3086457
LogD (pH = 7.4)
1.8979374
Log P
2.3175867
Molar Refractivity
35.0557
Polarizability
12.417942
Polar Surface Area
37.3
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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