Molecule

ID:96335

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉F₃O₂
Molecular Mass
266.2152696
Exact Mass
266.05546419
Charge
0
InChI
InChI=1S/C14H9F3O2/c15-14(16,17)11-6-3-10(4-7-11)5-8-12(18)13-2-1-9-19-13/h1-9H
InChIKey
ARZJAZCGFQCBNX-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccco1)/C=C/c1ccc(cc1)C(F)(F)F
Isomeric Smiles
o1c(ccc1)C(=O)/C=C/c1ccc(cc1)C(F)(F)F
Calculated Properties
JChem
Acid pKa
15.096429
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.8284204
LogD (pH = 7.4)
3.8284204
Log P
3.8284204
Molar Refractivity
65.2416
Polarizability
23.305328
Polar Surface Area
30.21
Rotatable Bonds
4
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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