Molecule

ID:40812

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)11-5-3-6-12(8-11)19-13-7-2-1-4-10(13)9-18/h1-9H
InChIKey
AMZIPWUILJMNOA-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1Oc1cccc(c1)C(F)(F)F
Isomeric Smiles
c1(cccc(c1)Oc1ccccc1C=O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.063884
LogD (pH = 7.4)
4.063884
Log P
4.063884
Molar Refractivity
64.8565
Polarizability
23.624613
Polar Surface Area
26.3
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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