Molecule

ID:95469

General Information
Structure
MolImage
Molecular Formula
C₂₃H₁₅FO
Molecular Mass
326.3630032
Exact Mass
326.11069332
Charge
0
InChI
InChI=1S/C23H15FO/c24-19-11-9-16(10-12-19)23(25)14-13-22-20-7-3-1-5-17(20)15-18-6-2-4-8-21(18)22/h1-15H
InChIKey
JTADJKXBLJASCW-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(=O)/C=C/c1c2ccccc2cc2c1cccc2
Isomeric Smiles
O=C(c1ccc(cc1)F)/C=C/c1c2c(cc3ccccc13)cccc2
Calculated Properties
JChem
Acid pKa
16.495142
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.0119805
LogD (pH = 7.4)
6.0119805
Log P
6.0119805
Molar Refractivity
99.9938
Polarizability
40.14524
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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