Molecule

ID:40506

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀F₂O₃
Molecular Mass
276.2349064
Exact Mass
276.05980062
Charge
0
InChI
InChI=1S/C15H10F2O3/c16-12-7-6-11(9-13(12)17)20-14-4-2-1-3-10(14)5-8-15(18)19/h1-9H,(H,18,19)/b8-5+
InChIKey
FOCNEQJOYUQVSH-VMPITWQZSA-N
Canonic Smiles
OC(=O)/C=C/c1ccccc1Oc1ccc(c(c1)F)F
Isomeric Smiles
C(=C\C(=O)O)/c1c(Oc2cc(c(cc2)F)F)cccc1
Calculated Properties
JChem
Acid pKa
3.486152
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9167932
LogD (pH = 7.4)
0.54230237
Log P
3.9217772
Molar Refractivity
69.7335
Polarizability
25.92109
Polar Surface Area
46.53
Rotatable Bonds
4
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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