Molecule

ID:79093

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈ClN₃O₄
Molecular Mass
293.66262
Exact Mass
293.02033343
Charge
0
InChI
InChI=1S/C12H8ClN3O4/c1-7-4-5-9(11(15-7)16(18)19)20-12(17)8-3-2-6-14-10(8)13/h2-6H,1H3
InChIKey
XJDAWUPGVPRIFT-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(n1)[N+](=O)[O-])OC(=O)c1cccnc1Cl
Isomeric Smiles
[N+](=O)(c1nc(ccc1OC(=O)c1cccnc1Cl)C)[O-]
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.6893694
LogD (pH = 7.4)
2.6893702
Log P
2.6893702
Molar Refractivity
71.6429
Polarizability
26.44829
Polar Surface Area
97.9
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
Navigation
6-methyl-2-nitropyridin-3-yl 2-chloropyridine-3-carboxylate|6-methyl-2-nitro-3-pyridyl 2-chloronicotinate|6-methyl-2-nitropyridin-3-yl 2-chloropyridine-3-carboxylate | Molfinder