Molecule

ID:97089

General Information
Structure
Molecular Formula
C₁₆H₁₃FO₂
Molecular Mass
256.2716232
Exact Mass
256.08995788
Charge
0
InChI
InChI=1S/C16H13FO2/c1-19-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-11H,1H3
InChIKey
AOINTYAZKYYNGN-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)/C=C/C(=O)c1ccc(cc1)F
Isomeric Smiles
O(c1ccc(cc1)/C=C/C(=O)c1ccc(cc1)F)C
Calculated Properties
JChem
Acid pKa
17.13107
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.875356
LogD (pH = 7.4)
3.875356
Log P
3.875356
Molar Refractivity
73.5566
Polarizability
27.493277
Polar Surface Area
26.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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