Molecule

ID:68582

General Information
Structure
MolImage
Molecular Formula
C₈H₆F₂O₃
Molecular Mass
188.1282464
Exact Mass
188.02850049
Charge
0
InChI
InChI=1S/C8H6F2O3/c9-8(10)13-7-2-1-5(4-11)3-6(7)12/h1-4,8,12H
InChIKey
ZLIKNROJGXXNJG-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)O)OC(F)F
Isomeric Smiles
C(=O)c1cc(c(cc1)OC(F)F)O
Calculated Properties
JChem
Acid pKa
9.118865
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.1511662
LogD (pH = 7.4)
2.1431131
Log P
2.15127
Molar Refractivity
41.095
Polarizability
15.04038
Polar Surface Area
46.53
Rotatable Bonds
3
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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