Molecule
ID:80022
General Information
Molecular Formula
C₁₀H₉ClN₄O₅
Molecular Mass
300.65526
Exact Mass
300.02614709
Charge
0
InChI
InChI=1S/C10H9ClN4O5/c1-12-7-4(5(11)6(9(12)17)15(19)20)8(16)14(3)10(18)13(7)2/h1-3H3
InChIKey
WHBAFUZNTAZXJY-UHFFFAOYSA-N
Canonic Smiles
Cn1c(=O)n(C)c2c(c1=O)c(Cl)c(c(=O)n2C)[N+](=O)[O-]
Isomeric Smiles
n1(c2c(c(=O)n(c1=O)C)c(c(c(=O)n2C)[N+](=O)[O-])Cl)C
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
-0.4114156
LogD (pH = 7.4)
-0.4114156
Log P
-0.4114156
Molar Refractivity
77.7232
Polarizability
24.984797
Polar Surface Area
106.75
Rotatable Bonds
1
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
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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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