Molecule

ID:124691

General Information
Structure
MolImage
Molecular Formula
C₃Cl₂N₃NaO₃
Molecular Mass
219.94617
Exact Mass
218.92144052
Charge
0
InChI
InChI=1S/C3HCl2N3O3.Na/c4-7-1(9)6-2(10)8(5)3(7)11;/h(H,6,9,10);/q;+1/p-1
InChIKey
MSFGZHUJTJBYFA-UHFFFAOYSA-M
Canonic Smiles
[O-]c1nc(=O)n(c(=O)n1Cl)Cl.[Na+]
Isomeric Smiles
c1(=O)n(c(nc(=O)n1Cl)[O-])Cl.[Na+]
Calculated Properties
JChem
Acid pKa
4.644871
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.053842764
LogD (pH = 7.4)
-1.8312794
Log P
0.8571183
Molar Refractivity
46.2724
Polarizability
13.3519335
Polar Surface Area
76.04
Rotatable Bonds
0
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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