Molecule

ID:96340

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₃F₃O
Molecular Mass
326.3118296
Exact Mass
326.0918497
Charge
0
InChI
InChI=1S/C20H13F3O/c21-20(22,23)18-10-5-14(6-11-18)7-12-19(24)17-9-8-15-3-1-2-4-16(15)13-17/h1-13H
InChIKey
XJRACTZDWAQGCJ-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc2c(c1)cccc2)/C=C/c1ccc(cc1)C(F)(F)F
Isomeric Smiles
O=C(c1ccc2ccccc2c1)/C=C/c1ccc(cc1)C(F)(F)F
Calculated Properties
JChem
Acid pKa
16.796816
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.7576504
LogD (pH = 7.4)
5.7576504
Log P
5.7576504
Molar Refractivity
89.3009
Polarizability
33.718277
Polar Surface Area
17.07
Rotatable Bonds
4
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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