Molecule

ID:93026

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆N₄O₄
Molecular Mass
246.17904
Exact Mass
246.03890469
Charge
0
InChI
InChI=1S/C10H6N4O4/c15-13(16)9-5-11-3-1-7(9)8-2-4-12-6-10(8)14(17)18/h1-6H
InChIKey
YWAJLBQBSMYGII-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cnccc1c1ccncc1[N+](=O)[O-]
Isomeric Smiles
n1cc(c(cc1)c1c(cncc1)[N+](=O)[O-])[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
1.0650755
LogD (pH = 7.4)
1.0650945
Log P
1.0650947
Molar Refractivity
61.5298
Polarizability
23.29028
Polar Surface Area
117.42
Rotatable Bonds
3
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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