Molecule

ID:12247

General Information
Structure
MolImage
Molecular Formula
C₇H₅Cl₂N₃O₄
Molecular Mass
266.0383
Exact Mass
264.96571102
Charge
0
InChI
InChI=1S/C7H5Cl2N3O4/c1-2-16-6(13)3-4(12(14)15)5(8)11-7(9)10-3/h2H2,1H3
InChIKey
CXMOEGSGXAUCNZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nc(Cl)nc(c1[N+](=O)[O-])Cl
Isomeric Smiles
c1(nc(c(c(n1)Cl)[N+](=O)[O-])C(=O)OCC)Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.2686272
LogD (pH = 7.4)
2.2686272
Log P
2.2686272
Molar Refractivity
57.8136
Polarizability
21.099794
Polar Surface Area
97.9
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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