Molecule

ID:97093

General Information
Structure
Molecular Formula
C₁₇H₁₅FO₃
Molecular Mass
286.2976032
Exact Mass
286.10052256
Charge
0
InChI
InChI=1S/C17H15FO3/c1-20-16-10-4-12(11-17(16)21-2)3-9-15(19)13-5-7-14(18)8-6-13/h3-11H,1-2H3
InChIKey
MWFPOMHEKFNGLA-UHFFFAOYSA-N
Canonic Smiles
COc1cc(/C=C/C(=O)c2ccc(cc2)F)ccc1OC
Isomeric Smiles
O(c1ccc(cc1OC)/C=C/C(=O)c1ccc(cc1)F)C
Calculated Properties
JChem
Acid pKa
16.992647
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.7176847
LogD (pH = 7.4)
3.7176847
Log P
3.7176847
Molar Refractivity
80.0198
Polarizability
30.02016
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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