Molecule

ID:28365

General Information
Structure
MolImage
Molecular Formula
C₉H₈F₂O₂
Molecular Mass
186.1554264
Exact Mass
186.04923594
Charge
0
InChI
InChI=1S/C9H8F2O2/c1-6(12)7-3-2-4-8(5-7)13-9(10)11/h2-5,9H,1H3
InChIKey
RLBDNZCDRGGGEE-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1cccc(c1)C(=O)C)F
Isomeric Smiles
C(Oc1cc(C(=O)C)ccc1)(F)F
Calculated Properties
JChem
Acid pKa
15.9267845
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2999804
LogD (pH = 7.4)
2.2999804
Log P
2.2999804
Molar Refractivity
42.9329
Polarizability
16.135208
Polar Surface Area
26.3
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
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References
Bioactivity
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