Molecule

ID:17822

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃FO₃
Molecular Mass
260.2603232
Exact Mass
260.0848725
Charge
0
InChI
InChI=1S/C15H13FO3/c1-18-14-7-4-12(9-17)8-15(14)19-10-11-2-5-13(16)6-3-11/h2-9H,10H2,1H3
InChIKey
DMEKMTVBQWKBHA-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1OCc1ccc(cc1)F)C=O
Isomeric Smiles
c1(OCc2ccc(F)cc2)c(ccc(c1)C=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.2375808
LogD (pH = 7.4)
3.2375808
Log P
3.2375808
Molar Refractivity
70.3974
Polarizability
26.517883
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
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Molecule Details
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References
Bioactivity
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