Molecule

ID:79293

General Information
Structure
MolImage
Molecular Formula
C₉H₆ClN₃O₃
Molecular Mass
239.61524
Exact Mass
239.00976875
Charge
0
InChI
InChI=1S/C9H6ClN3O3/c1-16-9(15)5-4-8(14)11-7-3-2-6(10)12-13(5)7/h2-4H,1H3
InChIKey
LMBWGLASLBYYEV-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(=O)nc2n1nc(Cl)cc2
Isomeric Smiles
n12c(cc(=O)nc1ccc(n2)Cl)C(=O)OC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
0.2149281
LogD (pH = 7.4)
0.21492812
Log P
0.21492812
Molar Refractivity
57.503
Polarizability
20.841505
Polar Surface Area
71.33
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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