Molecule

ID:60585

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃FO₃
Molecular Mass
260.2603232
Exact Mass
260.0848725
Charge
0
InChI
InChI=1S/C15H13FO3/c1-18-10-19-14-4-2-3-12(9-14)15(17)11-5-7-13(16)8-6-11/h2-9H,10H2,1H3
InChIKey
FSOZGPURULISFF-UHFFFAOYSA-N
Canonic Smiles
COCOc1cccc(c1)C(=O)c1ccc(cc1)F
Isomeric Smiles
c1c(cc(cc1)C(=O)c1ccc(cc1)F)OCOC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.4807549
LogD (pH = 7.4)
3.4807549
Log P
3.4807549
Molar Refractivity
69.1661
Polarizability
26.690525
Polar Surface Area
35.53
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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