Molecule

ID:26086

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅FO₃
Molecular Mass
274.2869032
Exact Mass
274.10052256
Charge
0
InChI
InChI=1S/C16H15FO3/c1-2-19-16-9-12(10-18)6-7-15(16)20-11-13-4-3-5-14(17)8-13/h3-10H,2,11H2,1H3
InChIKey
YQYJYTSFQKIJPK-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(C=O)ccc1OCc1cccc(c1)F
Isomeric Smiles
c1(c(OCc2cc(F)ccc2)ccc(c1)C=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.5943887
LogD (pH = 7.4)
3.5943887
Log P
3.5943887
Molar Refractivity
75.146
Polarizability
28.353313
Polar Surface Area
35.53
Rotatable Bonds
6
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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