Molecule

ID:96379

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉Cl₂FN₂O₃
Molecular Mass
343.1372632
Exact Mass
341.99742574
Charge
0
InChI
InChI=1S/C14H9Cl2FN2O3/c1-21-13-6-9(5-12(16)19-13)14(20)22-18-7-8-2-3-11(17)10(15)4-8/h2-7H,1H3
InChIKey
KONXPYRYPCAZAR-UHFFFAOYSA-N
Canonic Smiles
COc1nc(Cl)cc(c1)C(=O)O/N=C/c1ccc(c(c1)Cl)F
Isomeric Smiles
n1c(cc(cc1Cl)C(=O)O/N=C/c1ccc(c(c1)Cl)F)OC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
4.6823754
LogD (pH = 7.4)
4.682378
Log P
4.682378
Molar Refractivity
81.7928
Polarizability
30.387203
Polar Surface Area
60.78
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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