Molecule

ID:67796

General Information
Structure
MolImage
Molecular Formula
C₅H₃Cl₂N₃O₂
Molecular Mass
208.00222
Exact Mass
206.96023171
Charge
0
InChI
InChI=1S/C5H3Cl2N3O2/c1-2-3(10(11)12)4(6)9-5(7)8-2/h1H3
InChIKey
NBCOZXBHPKSFSA-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(C)c(c(n1)Cl)[N+](=O)[O-]
Isomeric Smiles
c1(nc(c(c(n1)C)[N+](=O)[O-])Cl)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.853862
LogD (pH = 7.4)
1.853862
Log P
1.853862
Molar Refractivity
44.999
Polarizability
16.469889
Polar Surface Area
68.92
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
No Data Available
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Molecule Details
References
Bioactivity
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