Molecule
ID:124104
General Information
Molecular Formula
C₈H₄Cl₂N₄O₂
Molecular Mass
259.04896
Exact Mass
257.97113075
Charge
0
InChI
InChI=1S/C8H4Cl2N4O2/c9-7-8(10)13(4-12-7)6-2-1-5(3-11-6)14(15)16/h1-4H
InChIKey
ZWWLOLKEWZZDLN-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(nc1)n1cnc(c1Cl)Cl
Isomeric Smiles
n1(c(c(nc1)Cl)Cl)c1ncc([N+](=O)[O-])cc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.6221172
LogD (pH = 7.4)
1.6226927
Log P
1.6227
Molar Refractivity
70.1597
Polarizability
21.841608
Polar Surface Area
76.53
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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