Molecule

ID:42880

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀F₂O₂
Molecular Mass
248.2248064
Exact Mass
248.064886
Charge
0
InChI
InChI=1S/C14H10F2O2/c15-13-6-3-11(7-14(13)16)9-18-12-4-1-10(8-17)2-5-12/h1-8H,9H2
InChIKey
ZTEWSBQTOYYFFO-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)OCc1ccc(c(c1)F)F
Isomeric Smiles
c1(c(ccc(c1)COc1ccc(C=O)cc1)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5379539
LogD (pH = 7.4)
3.5379539
Log P
3.5379539
Molar Refractivity
64.1506
Polarizability
23.697563
Polar Surface Area
26.3
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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