Molecule

ID:96341

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₃FO
Molecular Mass
276.3043232
Exact Mass
276.09504326
Charge
0
InChI
InChI=1S/C19H13FO/c20-18-10-5-14(6-11-18)7-12-19(21)17-9-8-15-3-1-2-4-16(15)13-17/h1-13H
InChIKey
BCVIZJTYUVWPOB-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)/C=C/C(=O)c1ccc2c(c1)cccc2
Isomeric Smiles
O=C(c1ccc2ccccc2c1)/C=C/c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
16.878649
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.022504
LogD (pH = 7.4)
5.022504
Log P
5.022504
Molar Refractivity
83.5436
Polarizability
32.540237
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
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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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