Molecule

ID:85131

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉N₅O₅
Molecular Mass
279.20896
Exact Mass
279.06036841
Charge
0
InChI
InChI=1S/C10H9N5O5/c1-12-7-4(8(16)14(3)10(18)13(7)2)5-6(9(12)17)15(19)20-11-5/h1-3H3
InChIKey
RBAMQDJSOLCGPA-UHFFFAOYSA-N
Canonic Smiles
Cn1c(=O)n(C)c2c(c1=O)c1no[n+](c1c(=O)n2C)[O-]
Isomeric Smiles
n1(c2c(c3no[n+](c3c(=O)n2C)[O-])c(=O)n(c1=O)C)C
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
-1.4666
LogD (pH = 7.4)
-1.4666
Log P
-1.4666
Molar Refractivity
95.0308
Polarizability
22.897379
Polar Surface Area
112.42
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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