Molecule

ID:115367

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁ClN₂O₄
Molecular Mass
294.69044
Exact Mass
294.04073452
Charge
0
InChI
InChI=1S/C13H11ClN2O4/c1-19-12(17)10-7-11(16(15-10)13(18)20-2)8-3-5-9(14)6-4-8/h3-7H,1-2H3
InChIKey
JJMREYXJKRQVJG-UHFFFAOYSA-N
Canonic Smiles
COC(=O)n1nc(cc1c1ccc(cc1)Cl)C(=O)OC
Isomeric Smiles
n1(nc(cc1c1ccc(cc1)Cl)C(=O)OC)C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5771284
LogD (pH = 7.4)
2.5771284
Log P
2.5771284
Molar Refractivity
72.1111
Polarizability
28.86661
Polar Surface Area
70.42
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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