Molecule

ID:93382

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₃FO
Molecular Mass
240.2722232
Exact Mass
240.09504326
Charge
0
InChI
InChI=1S/C16H13FO/c1-12-2-7-14(8-3-12)16(18)11-6-13-4-9-15(17)10-5-13/h2-11H,1H3
InChIKey
LUUPODNGYDYQLY-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)C(=O)/C=C/c1ccc(cc1)F
Isomeric Smiles
O=C(c1ccc(cc1)C)/C=C/c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
17.096748
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.5464487
LogD (pH = 7.4)
4.5464487
Log P
4.5464487
Molar Refractivity
72.1346
Polarizability
26.745438
Polar Surface Area
17.07
Rotatable Bonds
3
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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