Molecule

ID:59624

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁F₄NO₃
Molecular Mass
317.2356528
Exact Mass
317.0675061
Charge
0
InChI
InChI=1S/C14H11F4NO3/c1-2-22-14(21)8-6-19(4-3-15)12-7(13(8)20)5-9(16)10(17)11(12)18/h5-6H,2-4H2,1H3
InChIKey
HDGNABAQEHQIFQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cn(CCF)c2c(c1=O)cc(c(c2F)F)F
Isomeric Smiles
c1(c(=O)c2c(n(c1)CCF)c(c(c(c2)F)F)F)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7382364
LogD (pH = 7.4)
2.7382364
Log P
2.7382364
Molar Refractivity
70.0949
Polarizability
25.24121
Polar Surface Area
46.61
Rotatable Bonds
5
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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