Molecule

ID:52700

General Information
Structure
MolImage
Molecular Formula
C₆H₂ClN₃O₂
Molecular Mass
183.55198
Exact Mass
182.983554
Charge
0
InChI
InChI=1S/C6H2ClN3O2/c7-6-2-1-5(10(11)12)4(3-8)9-6/h1-2H
InChIKey
XVIHGTRTKQZJAC-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(nc1C#N)Cl
Isomeric Smiles
c1c(nc(c(c1)[N+](=O)[O-])C#N)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.7617259
LogD (pH = 7.4)
1.7617259
Log P
1.7617259
Molar Refractivity
41.4373
Polarizability
15.267572
Polar Surface Area
79.82
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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