Molecule

ID:25875

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉F₃O₃
Molecular Mass
270.2039696
Exact Mass
270.05037881
Charge
0
InChI
InChI=1S/C13H9F3O3/c14-13(15,16)9-2-1-3-10(6-9)18-8-12-5-4-11(7-17)19-12/h1-7H,8H2
InChIKey
GMYVPUMUYINXJH-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(o1)COc1cccc(c1)C(F)(F)F
Isomeric Smiles
C(c1cc(OCc2oc(cc2)C=O)ccc1)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1106462
LogD (pH = 7.4)
3.1106462
Log P
3.1106462
Molar Refractivity
61.9599
Polarizability
22.4443
Polar Surface Area
39.44
Rotatable Bonds
5
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
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References
Bioactivity
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