Molecule

ID:93098

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁F₂NO₂
Molecular Mass
251.2287464
Exact Mass
251.07578504
Charge
0
InChI
InChI=1S/C13H11F2NO2/c1-2-18-12(17)13(14,15)10-5-6-11-9(8-10)4-3-7-16-11/h3-8H,2H2,1H3
InChIKey
JKSSVYBANQTVNY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(c1ccc2c(c1)cccn2)(F)F
Isomeric Smiles
n1cccc2cc(ccc12)C(F)(F)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0074754
LogD (pH = 7.4)
3.0389414
Log P
3.039359
Molar Refractivity
60.9234
Polarizability
24.478392
Polar Surface Area
39.19
Rotatable Bonds
4
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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