Molecule

ID:25826

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂F₂O₃
Molecular Mass
278.2507864
Exact Mass
278.07545068
Charge
0
InChI
InChI=1S/C15H12F2O3/c1-19-14-4-2-10(8-18)6-11(14)9-20-15-5-3-12(16)7-13(15)17/h2-8H,9H2,1H3
InChIKey
ARAMEYDTNQOQNB-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1COc1ccc(cc1F)F)C=O
Isomeric Smiles
c1(c(ccc(c1)C=O)OC)COc1c(cc(cc1)F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.3802826
LogD (pH = 7.4)
3.3802826
Log P
3.3802826
Molar Refractivity
70.6138
Polarizability
26.25192
Polar Surface Area
35.53
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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