Molecule

ID:42331

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀ClFN₂O₃
Molecular Mass
296.6815032
Exact Mass
296.03639809
Charge
0
InChI
InChI=1S/C13H10ClFN2O3/c1-2-20-13(19)12-10(14)7-11(18)17(16-12)9-5-3-8(15)4-6-9/h3-7H,2H2,1H3
InChIKey
LPEWVPRXMRTICZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nn(c2ccc(cc2)F)c(=O)cc1Cl
Isomeric Smiles
n1c(c(cc(=O)n1c1ccc(cc1)F)Cl)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.083854
LogD (pH = 7.4)
3.083854
Log P
3.083854
Molar Refractivity
71.432
Polarizability
26.609278
Polar Surface Area
58.97
Rotatable Bonds
4
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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