Molecule

ID:84649

General Information
Structure
MolImage
Molecular Formula
C₄HCl₂N₃O₃
Molecular Mass
209.97504
Exact Mass
208.93949627
Charge
0
InChI
InChI=1S/C4HCl2N3O3/c5-1-2(6)4(10)8-7-3(1)9(11)12/h(H,8,10)
InChIKey
SCNATHDZNWMBOX-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1n[nH]c(=O)c(c1Cl)Cl
Isomeric Smiles
n1c(c(c(Cl)c(=O)[nH]1)Cl)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
5.3901267
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.3735341
LogD (pH = 7.4)
0.7620002
Log P
1.6734524
Molar Refractivity
41.082
Polarizability
15.189735
Polar Surface Area
87.28
Rotatable Bonds
1
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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