Molecule

ID:19149

General Information
Structure
MolImage
Molecular Formula
C₈H₆F₂O₃
Molecular Mass
188.1282464
Exact Mass
188.02850049
Charge
0
InChI
InChI=1S/C8H4F2O2.H2O/c9-5-1-2-6(7(10)3-5)8(12)4-11;/h1-4H;1H2
InChIKey
BILNRTMGRXGXSV-UHFFFAOYSA-N
Canonic Smiles
O=CC(=O)c1ccc(cc1F)F.O
Isomeric Smiles
C(=O)(C=O)c1c(cc(cc1)F)F.O
Calculated Properties
JChem
Acid pKa
13.567428
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9059678
LogD (pH = 7.4)
1.9059677
Log P
1.9059678
Molar Refractivity
37.7499
Polarizability
13.693346
Polar Surface Area
34.14
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
Molecule Details
References
Bioactivity
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