Molecule

ID:7554

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈ClF₃O
Molecular Mass
284.6609296
Exact Mass
284.02157722
Charge
0
InChI
InChI=1S/C14H8ClF3O/c15-12-7-6-10(14(16,17)18)8-11(12)13(19)9-4-2-1-3-5-9/h1-8H
InChIKey
QHDJJBSLUFDASY-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1C(=O)c1ccccc1)C(F)(F)F
Isomeric Smiles
c1cccc(c1)C(=O)c1c(ccc(c1)C(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.914492
LogD (pH = 7.4)
4.914492
Log P
4.914492
Molar Refractivity
67.412
Polarizability
24.94633
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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