Molecule

ID:9227

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)12-9-5-4-8-11(12)13(18)10-6-2-1-3-7-10/h1-9H
InChIKey
JXIWJBWMQXDALU-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1C(F)(F)F)c1ccccc1
Isomeric Smiles
c1cccc(c1C(=O)c1ccccc1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.310447
LogD (pH = 7.4)
4.310447
Log P
4.310447
Molar Refractivity
62.6072
Polarizability
22.978556
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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