Molecule

ID:42609

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃FO₃
Molecular Mass
260.2603232
Exact Mass
260.0848725
Charge
0
InChI
InChI=1S/C15H13FO3/c1-18-15(17)12-5-7-14(8-6-12)19-10-11-3-2-4-13(16)9-11/h2-9H,10H2,1H3
InChIKey
CRSAJAUIAXPCDO-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)OCc1cccc(c1)F
Isomeric Smiles
C(=O)(c1ccc(OCc2cc(F)ccc2)cc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.6862266
LogD (pH = 7.4)
3.6862266
Log P
3.6862266
Molar Refractivity
69.3755
Polarizability
26.523514
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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