Molecule

ID:42329

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁ClN₂O₃
Molecular Mass
278.69104
Exact Mass
278.0458199
Charge
0
InChI
InChI=1S/C13H11ClN2O3/c1-2-19-13(18)12-10(14)8-11(17)16(15-12)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKey
FVICQWSLDJJNGH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nn(c2ccccc2)c(=O)cc1Cl
Isomeric Smiles
n1c(c(cc(=O)n1c1ccccc1)Cl)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.941152
LogD (pH = 7.4)
2.941152
Log P
2.941152
Molar Refractivity
71.2156
Polarizability
26.836845
Polar Surface Area
58.97
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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