Molecule

ID:84253

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClN₃O₄
Molecular Mass
269.64122
Exact Mass
269.02033343
Charge
0
InChI
InChI=1S/C10H8ClN3O4/c1-3-18-10(15)7-6(4-12)9(11)13-5(2)8(7)14(16)17/h3H2,1-2H3
InChIKey
SEHVSYSJEKTOTF-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c([N+](=O)[O-])c(C)nc(c1C#N)Cl
Isomeric Smiles
[N+](=O)(c1c(nc(c(c1C(=O)OCC)C#N)Cl)C)[O-]
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.8675307
LogD (pH = 7.4)
1.8675307
Log P
1.8675307
Molar Refractivity
64.1789
Polarizability
23.367264
Polar Surface Area
108.8
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
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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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