Molecule

ID:9148

General Information
Structure
MolImage
Molecular Formula
C₈H₆F₂O₃
Molecular Mass
188.1282464
Exact Mass
188.02850049
Charge
0
InChI
InChI=1S/C8H6F2O3/c9-4-1-2-5(6(10)3-4)7(11)8(12)13/h1-3,7,11H,(H,12,13)
InChIKey
RRRQFGNNRJHLNV-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(c1ccc(cc1F)F)O
Isomeric Smiles
c1(c(cc(cc1)F)F)C(C(=O)O)O
Calculated Properties
JChem
Acid pKa
2.706185
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.5399944
LogD (pH = 7.4)
-2.3194654
Log P
1.1812395
Molar Refractivity
39.1366
Polarizability
14.797806
Polar Surface Area
57.53
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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