Molecule

ID:99069

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₃FO₃
Molecular Mass
284.2817232
Exact Mass
284.0848725
Charge
0
InChI
InChI=1S/C17H13FO3/c1-10-14-9-12(18)5-8-15(14)21-17(19)16(10)11-3-6-13(20-2)7-4-11/h3-9H,1-2H3
InChIKey
LBSKUHVQDDLNAC-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1c(=O)oc2c(c1C)cc(cc2)F
Isomeric Smiles
o1c(=O)c(c(c2c1ccc(c2)F)C)c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7358727
LogD (pH = 7.4)
3.7358727
Log P
3.7358727
Molar Refractivity
76.9623
Polarizability
29.372704
Polar Surface Area
35.53
Rotatable Bonds
2
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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