Molecule

ID:40731

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁ClN₂O₄
Molecular Mass
294.69044
Exact Mass
294.04073452
Charge
0
InChI
InChI=1S/C13H11ClN2O4/c1-19-9-5-3-8(4-6-9)16-11(17)7-10(14)12(15-16)13(18)20-2/h3-7H,1-2H3
InChIKey
CFZMOXYNBKXBFH-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)n1nc(C(=O)OC)c(cc1=O)Cl
Isomeric Smiles
n1c(c(cc(=O)n1c1ccc(cc1)OC)Cl)C(=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.426673
LogD (pH = 7.4)
2.426673
Log P
2.426673
Molar Refractivity
72.9302
Polarizability
27.562246
Polar Surface Area
68.2
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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