Molecule

ID:39923

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉F₃O
Molecular Mass
250.2158696
Exact Mass
250.06054957
Charge
0
InChI
InChI=1S/C14H9F3O/c15-14(16,17)13-7-5-12(6-8-13)11-3-1-10(9-18)2-4-11/h1-9H
InChIKey
HIMSXOOFWOOYFK-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)c1ccc(cc1)C(F)(F)F
Isomeric Smiles
c1(ccc(cc1)C(F)(F)F)c1ccc(cc1)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.210822
LogD (pH = 7.4)
4.210822
Log P
4.210822
Molar Refractivity
63.7519
Polarizability
24.09844
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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