Molecule

ID:84185

General Information
Structure
MolImage
Molecular Formula
C₇H₄N₄O₄
Molecular Mass
208.13106
Exact Mass
208.02325463
Charge
0
InChI
InChI=1S/C7H4N4O4/c12-7-5-3-4(10(13)14)1-2-6(5)8-11(15)9-7/h1-3H,(H,8,9,12)
InChIKey
BKYFXFGONFMJNN-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc2c(c1)c(=O)[nH][n+](n2)[O-]
Isomeric Smiles
[n+]1(nc2ccc(cc2c(=O)[nH]1)[N+](=O)[O-])[O-]
Calculated Properties
JChem
Acid pKa
9.167375
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.71144575
LogD (pH = 7.4)
-0.71787393
Log P
-0.71136177
Molar Refractivity
51.2529
Polarizability
17.028097
Polar Surface Area
116.03
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
No Data Available
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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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