Molecule
ID:83322
General Information
Molecular Formula
C₁₀H₅ClN₂O₄
Molecular Mass
252.6107
Exact Mass
251.99378433
Charge
0
InChI
InChI=1S/C10H5ClN2O4/c11-7-4-5-8(12(14)15)6-2-1-3-9(10(6)7)13(16)17/h1-5H
InChIKey
KCMPORJIBRHUHC-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cccc2c1c(Cl)ccc2[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1ccc(c2c1cccc2[N+](=O)[O-])Cl)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.4467356
LogD (pH = 7.4)
3.4467356
Log P
3.4467356
Molar Refractivity
61.9624
Polarizability
23.527277
Polar Surface Area
91.64
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
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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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