Molecule

ID:97328

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈F₄O
Molecular Mass
268.2063328
Exact Mass
268.05112776
Charge
0
InChI
InChI=1S/C14H8F4O/c15-10-6-7-11(12(8-10)14(16,17)18)13(19)9-4-2-1-3-5-9/h1-8H
InChIKey
XZHKIIDUTIPSNS-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)C(F)(F)F)C(=O)c1ccccc1
Isomeric Smiles
O=C(c1ccccc1)c1ccc(cc1C(F)(F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.4531493
LogD (pH = 7.4)
4.4531493
Log P
4.4531493
Molar Refractivity
62.8236
Polarizability
22.784021
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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