Molecule

ID:96499

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄F₃NO₃
Molecular Mass
313.2717696
Exact Mass
313.09257797
Charge
0
InChI
InChI=1S/C15H14F3NO3/c1-14(2,3)12-11(8-21-19-12)13(20)22-10-6-4-5-9(7-10)15(16,17)18/h4-8H,1-3H3
InChIKey
MZXSEVNBMDLEDG-UHFFFAOYSA-N
Canonic Smiles
O=C(c1conc1C(C)(C)C)Oc1cccc(c1)C(F)(F)F
Isomeric Smiles
n1c(c(co1)C(=O)Oc1cccc(c1)C(F)(F)F)C(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.8079815
LogD (pH = 7.4)
4.8079815
Log P
4.8079815
Molar Refractivity
73.5705
Polarizability
26.984917
Polar Surface Area
52.33
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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